JPH0916654A - Processing device and method for determining optimum processing condition - Google Patents

Abstract

PROBLEM TO BE SOLVED: To rationally and efficiently execute process design by identifying the surface states of various inside walls and setting up a working condition in a predicted working condition area on the working device. SOLUTION: A surface state identifying computer 106 identifies the current predicted surface states of various inner walls of the processing device. Surface data expressing the identified surface states of various inner walls are stored in a surface state storage device 107. A design computer 110 predicts working reagents and a process window to be used for forming a prescribed material layer on the surface of a base (e.g. silicon substrate) to be processed by a chemical reaction simulation computer 108 based upon the surface states identified by the computer 106. Then the processing conditions in the process window predicted by the computer 110 is set up on the processing device.

Description

Detailed Description of the Invention

[0001]

BACKGROUND OF THE INVENTION 1. Field of the Invention The present invention relates to a processing apparatus and a method for determining optimum processing conditions, and in particular, development, trial production of a semiconductor element, a catalyst, a functional material, an optical material, a superconducting material and a magnetic material. Also, it relates to technology that is effective when applied to mass production.

[0002]

2. Description of the Related Art In order to produce a product having a property required by a client from a precursor of a product by using a given processing equipment, it is necessary to determine the most suitable processing conditions. I won't.

For example, in order to manufacture a semiconductor device having certain characteristics, device design is first performed.

Here, the element design means that the semiconductor element is MO.
In the case of SFET device, source, drain, gate,
Designing the material and shape of each structural element such as an electrode and an insulating film and the interface region.

Therefore, the element design determines the required specifications for the manufacturing process.

Regarding the requirements regarding the shape of the structural element of the device, it is possible to find the process conditions that satisfy the requirements by predicting the time change of the shape by a conventional process simulator and observing the cross-sectional shape.

However, with respect to the material of the structural element of the element, up to now, at most, only process design which can satisfy the requirements regarding the material of the matrix (bulk) of each element structural element can be performed.

When the size of the structural element of the device is larger than about 1 micron, there was no problem in such a material design, but as the device becomes highly integrated, it is necessary to identify the atomic level of the device material. Is coming.

For example, the atomic species and atomic arrangement at the interface between the element structural elements may greatly affect the characteristics of the element, and foreign matter intrusion in the processing process is a serious problem for such delicate structures. Becomes

Therefore, in the design of the semiconductor element manufacturing process in the future, it is necessary to consider the problems of the interface structure and the intrusion of foreign matter.

As an example, consider the case where thin film growth, resist pattern formation and etching are performed on the substrate surface in order to build a certain element structural element on the substrate.

In this case, the shape of the element structural element is determined by the exposure pattern of the resist, the developing method and the etching conditions.

The material of the matrix of the element structure element is mainly determined by the thin film growth process, but the resist process and the etching process must also be considered for the material of the interface region.

This is because the resist material and the etchant may remain on the interface of the element structure element, and the atmospheric gas and foreign matter in the device may adhere to the interface.

As can be understood from the above-mentioned example, all processes affect the element structural element and the material of its interface.

Therefore, in the process design, first, a processing reagent (raw material gas, resist material, etchant, etc.) and process conditions (temperature, pressure, electric field, etc.) satisfying the requirements concerning the element structural element and the material of its interface are designed. It is ideal to start with that.

The process conditions satisfying the requirements regarding the shape of each element structural element are found from the process condition group satisfying the requirements regarding materials.

Hereinafter, in the present specification, a process condition group that satisfies the requirements regarding materials will be referred to as a "process window".

In the process window, since the information on the material is completely grasped, the process design for the requirement on the shape can be more rational.

For example, in the process design, the following document (a)
When using the shape simulator as described in 1., it is possible to construct a simulation model based on the material information obtained in the design of the processing reagent and the process window.

(A) W. Fichtner, 'Pro
cess Simulation'in VLSI T
technology (ed., SM Sze, McG)
Raw-Hill, New York, 1988) Therefore, it is possible to perform shape simulation with extremely high prediction performance.

Further, in the process window, problems such as defective element characteristics can be easily dealt with for the same reason.

As described above, if the processing reagent and the process window satisfying the material requirements can be rationally designed, the entire process design can be rationalized and efficiently performed, and the defect countermeasure can be taken. It also provides extremely effective information for process control such as.

[0024]

However, in the current technology, it is rare that the process design and the process control are performed by completely grasping the information regarding the material in the process equipment.

In particular, when a fine element structural element is created as in the semiconductor element manufacturing process, it is necessary to grasp the material information (atomic species and atomic arrangement) of the element precursor and the surface of the inner wall of the apparatus in the processing process. , It is extremely difficult to observe it.

On the other hand, a method of predicting the material information on such a solid surface by a simulation based on the first principle is also conceivable, but the solid surface changes due to uncertain factors such as atmospheric gas and impurity gas, In fact, the initial state of the solid surface is often unknown.

In such a case, it is impossible to obtain surface material information only by simulation.

Due to such technical difficulties in solid surface identification, at present, in most cases, the design of processing reagents and process conditions that satisfy the requirements for device materials is
It is often incomplete and there is no guarantee that a process window will be found that meets the requirements.

Therefore, when the characteristics of the manufactured element are unstable or a defect occurs, it is extremely difficult to find the cause.

The present invention has been made to solve the above-mentioned problems of the prior art, and an object of the present invention is to determine the surface condition of various inner walls of a processing apparatus in a processing apparatus and a method of determining optimum processing conditions. The purpose is to provide a technology that enables rational and efficient process design by identifying by chemical reaction simulation.

The above and other objects and novel features of the present invention will become apparent from the description of this specification and the accompanying drawings.

[0032]

SUMMARY OF THE INVENTION Among the inventions disclosed in the present application, the outline of a representative one will be briefly described.
It is as follows.

(1) In a processing apparatus for processing the surface of a substrate to be processed, component measuring means for measuring the components of gas or liquid in the vicinity of various inner walls inside the processing apparatus,
Calculate the state change on a solid surface of a given solid and the composition of the gas or liquid generated on the solid surface by a chemical reaction with a given gas or liquid, and calculate the chemical species of the given gas or liquid. The chemical reaction calculation means for calculating the change and the surface state data representing the surface state of the various inner walls of the processing apparatus predicted based on the materials of the various inner walls of the processing apparatus are stored in advance, and the processing process is executed. Surface state storage device that stores the surface state data representing the surface state of various inner walls of the processing apparatus each time, and in the recently executed processing process, measured by the component measuring means near the various inner walls of the processing apparatus. The surface condition data representing the surface condition of the various inner walls of the processing device that generate components corresponding to the components of the gas or liquid From the surface condition data in the surface state storage device, selected using the chemical reaction calculation means,
The surface state identifying means for identifying the current surface state of various inner walls of the processing apparatus predicted thereby, and the surface data representing the surface state of the various inner walls of the processing apparatus identified by the surface state identifying means are used for the surface. Based on the storage means for storing in the state storage device and the surface states of various inner walls of the processing apparatus identified by the surface state identification means, the chemical reaction prediction means is used to determine a predetermined surface on the substrate to be processed. And a prediction unit for predicting a processing condition region for forming the material layer and a processing condition region in the processing condition region predicted by the prediction unit. To do.

(2) In the means of (1), the adoption frequency with which the surface state data is selected by the surface state identification means is stored for the surface state data stored in the surface state storage device. In the surface state identification means, the surface state data is taken in order from the one with the highest adoption frequency, and the surface state represented by the surface state data taken up is set as an initial state, and the chemical reaction calculation means is provided. Predict the generated gas or liquid component using, until the predicted component and the gas or liquid component measured by the component measuring means match, continue to pick up the surface state data and evaluate the sign It is characterized by

(3) In the means of the above (2), when the free space of the surface state storage device becomes smaller than a certain value, the surface state data of various inner walls of the processing device which is less frequently adopted is data. And a means for erasing from the surface state storage device in this order.

(4) In the method for determining the optimum processing conditions of a processing apparatus for processing the surface of a substrate to be processed, a component measuring means for measuring a gas or liquid component in the vicinity of various inner walls inside the processing apparatus is provided. The change in state of a given solid on the solid surface and the component of the gas or liquid generated on the surface of the solid by the chemical reaction with the given gas or liquid are calculated, and the change of the chemical species in the given gas or liquid is calculated. A chemical reaction calculation means for calculating,
Surface state data representing the surface state of the various inner walls of the processing device that is predicted based on the material of the various inner walls of the processing device is stored in advance, and the inner wall of the various processing devices each time the machining process is executed. A surface state storage device for storing surface state data representing a surface state, and in a recently executed processing process, a gas or liquid component measured by the component measuring means in the vicinity of various inner walls of the processing device. Surface state data representing the surface states of various inner walls of the processing apparatus that generate coincident components are selected from the surface state data in the surface state storage device using the chemical reaction calculation means, and are predicted by the chemical reaction calculation means. The current surface state of the various inner walls of the processing apparatus is identified, and the surface state data representing the surface state of the various inner walls of the identified processing apparatus is described above. Processing for forming a predetermined material layer on the surface of the substrate to be processed by using the chemical reaction predicting means under the surface condition of the various inner walls of the processing apparatus stored in the surface state storage device. It is characterized in that the reagent for processing and the processing condition region are determined.

(5) In the means of (4), the adoption frequency of selecting the surface condition data is calculated for the surface condition data stored in the surface condition storage device, and the adoption frequency of the adoption frequency is calculated. The surface condition data was taken in order from the largest one, and the gas or liquid component generated by using the chemical reaction calculation means was predicted by using the surface condition represented by the taken surface condition data as an initial condition and predicted. Until the components match the measured components,
It is characterized in that the surface state is picked up and the evaluation of the code is repeated.

[0038]

[Operation] First, the inner wall made of different material is
It is assumed that there are N types in total.

In advance, the surface conditions of various inner walls expected from each material are

[0040]

## EQU1 ## S0 = {S10, S20, ..., SN0} is set.

Here, as an example of the expression of the surface state, an expression by the atomic species of each atom on the surface of a few nanometers square and a set of position coordinates (in an appropriate coordinate system),

[0042]

## EQU00002 ## SIJ = {AIJ (1), XIJ (1), YIJ (1), ZIJ (1); AIJ (2), XIJ (2), YIJ (2), ZIJ (2); ……………… ； AIJ (i), XIJ (i), YIJ (i), ZIJ (i); ………………………}.

Here, the atoms belonging to the surface are, for example, atoms from the outermost surface to a depth of several nanometers.

Further, how the expected surface state changes due to the interaction with the processing reagent, atmospheric gas, impurities, etc. can be known by the atomic level simulation based on the first principle.

For example, by solving Schrödinger's equation by the adiabatic approximation, the potential at a certain atomic arrangement and the force acting on each atom can be calculated, and based on the force, the time variation of the atomic arrangement of the system is calculated. Can be predicted.

Therefore, the processing reagent, the atmosphere gas, the impurity molecules, etc. are regarded as one system by combining them with the surface atoms, and the temporal change of the atomic arrangement can be predicted. It is possible to predict a steady surface state after being acted on.

Further, the time change of the atomic arrangement of the chemical species in the gas phase or the liquid phase can be similarly predicted.

Hereinafter, in the present specification, the calculation means of the time change of the atomic arrangement of such a system will be referred to as "chemical reaction calculation means".

The surface states of various inner walls after interaction with atmospheric gas, impurity molecules, etc. predicted by the chemical reaction calculation means are shown.

[0050]

## EQU3 ## S1 = {S11, S21, ..., SN1}, S2 = {S12, S22, ..., SN2}, ………………………………, SM = {S1M, S2M, ……, SNM}, ……………………………………, and so on.

Here, as the atmosphere gas, oxygen molecules,
Examples thereof include nitrogen molecule, Ar atom, water molecule, carbon dioxide and the like.

The set of surface states of various inner walls as described above is expressed as a surface state set (Σ), and it is assumed that addition is possible to the surface state set (Σ).

Further, it is known that various surface states of the precursor of the product just before being introduced into the processing apparatus are known.

[0054]

## EQU00004 ## Let {s1, s2, ..., Sn}.

In general, the inner wall surface inside the processing apparatus is used for converting the inner wall surface of a simple container and a processing reagent such as a raw material gas and an etchant for processing before reaching a product precursor. There is an inner wall surface for reagent conversion.

The chemical reaction of the processing reagent should not occur on the inner wall surface of the mere container, and the chemical reaction should occur on the inner wall surface for converting the processing reagent so that the desired reagent is produced.

In some cases, the processing reagent is required to be converted into a gas phase or a liquid phase by an electric field or the like before reaching the product precursor.

Finally, the processing reagent that has reached the surface of the product precursor and the converted processing reagent are deposited, etched, etc. on various surfaces {s1, s2, ..., Sn} of the product precursor. Must react to produce the structural element (or interface) of the material required by the device design.

As described above, it is necessary to design a process condition or a processing reagent for exhibiting an appropriate function of a processing apparatus and for producing a material required by device design.

In the present specification, such design of process conditions will be referred to as process window design.

This process window can be designed as follows using the chemical reaction calculation means.

(W1) Take up a processing reagent (raw material, etchant, carrier gas, solvent, etc.).

(W2) In order to determine the conditions (flow ratio, gas temperature, liquid temperature, etc.) in which the processing reagent taken up does not chemically change in the vapor phase or liquid phase during transportation, chemical treatment is performed under various process conditions. The reaction calculation means is used to perform a simulation of the chemical reaction to determine the range of conditions under which no chemical change occurs.

However, this condition may be determined based on existing physicochemical data.

(W3) The range of conditions (such as the inner wall temperature) at which the processing reagent does not react on the inner wall surface of the transport pipe, the container, etc.
It is determined in the same way by chemical reaction simulation.

(W4) A chemical reaction simulation is carried out within a range of conditions (inner wall temperature, etc.) in which an appropriate conversion (chemical reaction) occurs on the surface of the inner wall for converting the processing reagent for converting the processing reagent for processing. The same method is used to decide.

(W5) In the gas phase or liquid phase, when the processing reagent is converted by an electric field or the like, the range of conditions (electric field, pressure, etc.) in which an appropriate chemical reaction occurs is determined by a similar method by a chemical reaction simulation. Decide.

(W6) Next, the processing reagent or the reagent converted for processing is applied to various surfaces {s1, s of the precursor of the product.
2, ..., Sn}, the range of conditions (pressure, surface temperature, etc.) such that the material required from the element design is generated on each surface is determined by a similar method by a chemical reaction simulation.

By the above steps (W1-W6), the state {S1L, S2L,
, SNL}, the condition region (process window) for the processing reagent taken up is determined.

However, if the process window is narrow or is not found, it is necessary to return to step W1 and select the processing reagent again.

As described above, in order to design the processing reagent and the process window, the current state (SL = {S1L, S2L, ..., SNL}) of the inner wall surface of the processing apparatus must be known. .

However, this surface state cannot be easily measured as described above and is usually unknown.

According to the means (1) or (4),
The current state of the inner wall surface of the processing equipment (SL = {S1L, S2
L,…, SNL}) is unknown, attach a device that measures the components (chemical species) of gas or liquid near the various inner wall surfaces in the processing equipment and the surface of the precursor of the product, and follow the procedure below. , Identify the surface condition of the inner wall of the processing equipment and design the processing reagent and process window.

(1) It is assumed that the current surface state of the inner wall of the processing apparatus is (S0 = {S10, S20, ..., SN0}) or the state after the interaction with the atmospheric gas.

(2) In the assumed current surface state of the inner wall of the processing apparatus, steps W1 to W6 are repeated until the processing reagent that gives a sufficiently wide process window is found, thereby designing the processing reagent and the process window.

(3) Using the processing reagent designed in step 2, under the typical process conditions in the process window designed in step 2, the processing of the given product precursor is performed, and the processing process is performed. At the end, measure the gas or liquid components near the various surfaces.

(4) The measured gas or liquid contains a component which was not predicted in the chemical reaction simulation (of the processing reagent designed in step 2) in the process window designed in step 2. , Or even though one ingredient was expected,
If it is not contained in the measured gas or liquid, go to step 5.

If the measured gas or liquid composition was as expected in the processing reagent and process window designed in step 2, then the design of the process reagent and the design of the process window are complete. You can see it, so proceed to Step 7.

(5) From the surface state set (Σ) defined above, the surface state of one inner wall of the processing apparatus is taken out based on a certain standard.

With that as the initial surface state, step 3
Under the process conditions of the actual process, the chemical reaction simulation is performed, the gas component or the liquid component at each position is predicted, and it is determined whether or not it matches the component measured in step 3.

If they coincide with each other, the final surface state identified as a result of the current chemical reaction simulation is taken as the current surface state of the inner wall of the processing apparatus (SL = {S1L, S2L, ..., SN).
L}) and register it in the surface state set (Σ).

By this registration processing, all the surface states of the inner wall generated by the machining process carried out by the machining apparatus are registered in the surface state set (Σ).

If they do not match, the surface condition of another inner wall of the processing apparatus is taken out from the surface condition set (Σ) on the basis of a certain standard, and the initial surface condition is taken as the same to predict the components. It is determined whether or not it matches the measured component.

Such processing is repeated until the components match, and when they match, the registration processing similar to the above is performed.

(6) In step 5, in the surface state of the inner wall of the processing apparatus, which is determined to reproduce the measured component,
Simulation results of chemical reactions at each position (surface of inner wall of processing equipment, surface of vapor phase or liquid, and surface of precursor of product) satisfy the requirements for processing equipment function and material requirements from device design It is determined whether it is a thing.

When the conditions are satisfied, in the current surface state of the inner wall of the processing apparatus (SL = {S1L, S2L, ..., SNL}), steps W1-W6 are executed for the processing reagent selected in step 2, Proceed to 7.

If not satisfied, the inside of the processing apparatus is cleaned, the surface state of the processing apparatus inner wall after cleaning is identified by chemical reaction simulation, and the current surface state of the apparatus inner wall (SL = {S1L, S2L, ... , SN
L}) and register in the surface state set (Σ) and return to step 2.

By the registration process of this step, all the surface states of the inner wall generated by the cleaning process performed by the processing apparatus are registered in the surface state set (Σ).

(7) Proceed to search for process conditions (optimization of process conditions) in a process window designed so as to satisfy the requirements regarding the shape of the element structural element using the selected processing reagent.

In the above means, the surface state set (Σ)
The step (5) of finding the surface condition of the inner wall of the current processing apparatus from among the above is included.

When the surface state of the inner wall of the processing apparatus is represented and stored by the atomic species and coordinates of the atoms belonging to the surface, this expression is used even if the surface state of the same kind is evaluated by a physicochemical evaluation by a human. Then, in the manufacturing apparatus or system adopting the above-mentioned means, unless the coordinates completely match, they are treated as different states.

Therefore, in steps 5 and 6, after identifying the surface state of the inner wall of the processing apparatus after the execution of the processing process and after the cleaning processing, the surface state of the inner wall of the processing apparatus is registered in the surface state set (Σ). As a result, the number of surface states included in the surface state set (Σ) increases infinitely.

This means that by continuing to use the procedure of the present invention, the number of surface states to be searched in step 5 will increase without limit.

Therefore, if the search method is not devised,
The design processing speed of the present invention decreases with the number of times of use.

Further, in order to store the state of one surface, it is necessary to store at least the coordinates of tens of thousands of atoms, which occupies a storage area of several megabytes. Therefore, when using the current storage device, You must consider the free space.

According to the means (2) or (4),
Each surface state data (S included in the surface state set (Σ)
The adoption frequency F (J) of J) is defined based on the number of times identified as the initial surface state in step 5.

If the adoption frequency is high, it can be considered empirically that the probability of being adopted again is high. Therefore, if the searches are performed in descending order of the adoption frequency, it is possible to suppress a decrease in the search speed.

According to the above-mentioned means (5), when the free space of the surface state set (Σ) becomes small, the surface state data having a low adoption frequency are sequentially excluded from the storage device.

In this case, since the surface state set (Σ) stores surface states that are frequently adopted, step 5
It is possible to minimize the deterioration of the identification function of the surface state in.

[0100]

Embodiments of the present invention will be described below in detail with reference to the drawings.

In all the drawings for explaining the embodiments, those having the same function are designated by the same reference numerals, and the repeated description thereof will be omitted.

FIG. 1 is a block diagram showing a schematic configuration of a processing apparatus which is an embodiment of the present invention.

The processing apparatus of the present embodiment is such that a metal, semiconductor, or insulating film is deposited on a precursor of a product such as a silicon substrate by C
Processing for determining a region (processing reagent and process window) of optimum processing conditions based on component measurement results and chemical reaction simulation results at several positions in the vapor phase in the processing apparatus when performing VD thin film formation processing It is a device.

In FIG. 1, 101 is a CVD apparatus and 10
2, 103 and 104 are gas phase component measuring means in the processing apparatus,
105 is a substrate such as a silicon substrate which is a substrate to be processed, 10
6 is a computer for identifying the surface state of the inner wall of the processing apparatus, 10
7 is a surface state storage device, 108 is a computer for chemical reaction simulation, 109 is an adoption frequency storage device, 11
0 is a computer for designing processing reagents and process windows, 111 is a computer for optimizing process conditions, 112 is a reagent component flow rate setting device, 113 is an inner wall temperature setting device, 114 is a temperature control setting device, and 115 is a pressure control setting device. , 116 are computers for gas phase component identification.

Note that each computer (10
6, 108, 110, 111, 116) may be configured by a single computer or separate computers.

The CVD apparatus 101 is provided with a pipe for transporting a processing reagent, in this embodiment, a mixed gas of a processing reagent component such as a raw material gas and a carrier gas to the CVD apparatus 101, and an outlet of this transportation pipe. A gas phase component measuring device 102 for measuring the components of the processing reagent is attached in the vicinity.

Further, in the CVD apparatus 101 itself, a gas phase component measuring device (103, 103) for measuring a gas component in the reaction container and a gas component in the vicinity of the surface of the precursor (substrate) 105 of the product installed therein. 104) is attached.

Such a gas phase component measuring device (102, 1
03, 104) include infrared absorption spectroscopy having an optical path at a measurement position, Raman spectroscopy, a measurement device by light absorption or emission, a mass spectrometer spectrometer having a function of sampling a gas near the measurement position, and a gas. A chromatographic analysis device and the like can be mentioned.

Here, the gas phase component measuring device 102 is provided mainly for measuring the gas phase in the transport pipe and the chemical species generated as a result of the chemical reaction on the surface of the inner wall of the transport pipe. The component measuring device 103 is provided mainly for measuring the chemical species generated as a result of the chemical reaction on the inner wall surface of the CVD device container, and the gas phase component measuring device 104 is
It is mainly provided to measure the chemical species generated as a result of the chemical reaction on the surface of the substrate 105.

These gas phase component measuring devices (102, 10
3, 104), the spectrum obtained by the gas phase component identification computer 116 is used for the molecular structure data of each component, for example, the atomic species of all atoms in the chemical species (molecule) and the position in an appropriate coordinate system. Is input to the computer 106 for identifying the surface state of the inner wall of the processing apparatus.

In the surface state identifying computer 106,
A candidate for the initial surface state of the inner wall of the processing apparatus is picked up from the surface state storage device 107, and a chemical reaction simulation is executed using the computer 108 for chemical reaction simulation on the surface state of the inner wall of the processing apparatus and the initial surface state of the substrate. , Products, changes in the surface condition, etc. are predicted, and it is determined whether or not the products match the gas phase component measurement results.

This operation is repeated until the coincidence is reached, and the identification of the initial surface state of the inner wall of the processing apparatus is completed.

The identification processing by searching the data in the surface state storage device 107 can be efficiently executed by using the adoption frequency data in the adoption frequency storage device 109.

Also, the surface state identifying computer 106.
Represents the current surface state of the processing apparatus inner wall and the substrate, which is predicted by the chemical reaction simulation using the chemical reaction simulation computer 108, from the identified initial surface state of the processing apparatus inner wall. It is passed to the design computer 110.

In the design computer 110, the chemical reaction simulation computer 10 mainly uses the current surface state of the inner wall of the processing apparatus and the surface state of the substrate passed from the surface state identification computer 106 as initial states.
In the present embodiment in which a chemical reaction that satisfies the requirements occurs by performing a chemical reaction simulation using No. 8, in the gas phase in the transport pipe, the inner wall surface thereof, and the inner wall of the CVD container, the chemical reaction constantly proceeds. On the surface of the substrate, the area of the processing reagents and process conditions (process window) in which a chemical reaction that forms a thin film of the desired material proceeds.
Search for and decide.

This process condition area (process window) is passed to the process condition optimizing computer 111.

Computer 111 for optimizing process conditions
Then, the conventional process simulation, experimental data, etc. are used to determine the optimum process conditions for forming the required thin film shape in the process window passed from the design computer 110.

The determined optimum process conditions are newly
After the precursor of the same product as before is installed in the CVD apparatus 101, processing condition setting means, in this embodiment, a processing reagent component flow rate setting device 112, an inner wall temperature setting device 113, a substrate temperature setting device 114, a pressure The setting is made in the setting device 115, and the manufacturing of the product is executed.

FIG. 2 is a flow chart showing the processing procedure in the processing apparatus of this embodiment.

Next, the processing procedure in the processing apparatus of this embodiment will be described with reference to FIG.

Here, the surface condition of the precursor of the product which is the substrate to be processed is known for the following reason.

First, if there is no other processing process before this processing process, the precursor of the product is a raw material, and in general, the raw material has a simple structure, and its surface state cannot be measured. Because it is easy.

If there is another processing process before this processing process, if the processing process conditions are determined by the method of this embodiment, the surface condition of the precursor of the product is Because it should be known.

First, from the surface state storage device 107, the most probable surface state of the inner wall of the processing apparatus is selected (step 201).

Assuming that the surface state of the selected (or given) inner wall of the processing apparatus and the surface state of the precursor of the product to be processed are initial surface states, the processing reagent and the process window (product A computer 1 for designing a region of processing conditions that satisfies the required specifications for materials.
Design according to 10 (step 202).

At this time, the chemical reaction simulation computer 108 is used to perform each chemical reaction simulation under various processing conditions using various processing reagents.

Also, using the selected processing reagent, and
When the processing process is executed under the selected process conditions, the components of the gas phase in the processing device at the final stage of the processing process are predicted.

Using the processing reagent selected in step 202, the processing process is executed under the typical processing conditions in the process window determined in step 202, and the vapor phase in the processing device at the final stage of the processing process is executed. Gas component measuring device 102, gas phase component measuring device 10
3 and the gas phase component measuring device 104 (step 203).

The measured data is converted into molecular structure data by the component identifying computer 116 and sent to the surface state identifying computer 106.

The surface state identifying computer 106 determines whether or not the gas phase component measured in step 203 matches the gas phase component predicted in step 202 (step 204).

If they match, it means that the surface condition of the assumed inner wall of the processing apparatus was correct before designing the process window. Therefore, the process condition optimizing computer 1
The process window data is passed to 11, and the process proceeds to the process condition optimization (step 209).

If they do not match, it means that the initial surface state of the inner wall of the processing apparatus was not correctly assumed before designing the process window. Therefore, the initial surface state for accurately reproducing the actually measured gas phase component in step 203 is set. Search (step 205).

In this step 205, one of the surface state data in the surface state storage device 107 is extracted, and the surface state represented by the extracted surface state data is
Assuming that the initial surface state of the inner wall of the processing apparatus is the initial surface state of the inner wall of the processing apparatus and the surface state of the precursor of the product that is the substrate to be processed, the chemical reaction simulation computer 108 is used. Then, the chemical reaction simulation in the case where the processing reagent and the processing conditions are adopted in step 203 is executed to predict the gas phase component.

In this case, the position for executing the chemical reaction simulation using the chemical reaction simulation computer 108 is the designated position in the processing apparatus.

The collection of the initial surface state of the inner wall of the processing apparatus and the simulation of the chemical reaction using the chemical reaction simulation computer 108 are repeated until the predicted gas phase component matches the actually measured gas phase component.

Next, in step 205, it is judged whether or not the initial surface state of the inner wall of the processing apparatus has been identified (step 212).

In step 212, step 205
If the initial surface state of the inner wall of the processing apparatus can be identified in step 205, the result of the chemical reaction simulation using the chemical reaction simulation computer 108 in the identified initial surface state of the inner wall of the processing apparatus is predicted in step 205. Further, the current surface state of the inner wall of the processing apparatus is registered in the surface state storage device 107 (step 206).

Next, under the initial surface state identified in step 205, the chemical reactions on the gas phase and various surfaces of the substrate predicted by the chemical reaction simulation using the chemical reaction simulation computer 108 are as follows: It is determined whether or not the required specifications regarding the material are satisfied (step 207).

If the required specifications are not satisfied, the inner wall of the processing apparatus is cleaned (step 210).

Further, even if the initial surface state of the inner wall of the processing apparatus cannot be identified in step 212, the inner wall of the processing apparatus is cleaned (step 21).
0).

Examples of the cleaning treatment include etching of the inner wall surface with a fluorine-based gas.

The surface state of the inner wall of the processing apparatus after the cleaning process is analyzed by the computer 108 for chemical reaction simulation.
Prediction is performed by a chemical reaction simulation using, and the result is registered in the surface state storage device 107 (step 21
1) and returns to step 202.

If the required specifications are met, step 206
It is assumed that the surface state of the inner wall of the processing apparatus registered in step 2 is the initial surface state, and the process window in the case of using the same processing reagent as in step 203 is designed by the design computer 110 in the same procedure as in step 202. (Step 208).

Finally, the process conditions are optimized in the process window designed in step 208 (step 209).

The process condition optimization is performed using the process condition optimization computer 111.

Computer 111 for optimizing process conditions
As an example of, there is a process simulator that predicts the time change of the cross-sectional shape of the device structural element in the processing process.

In this optimization process, not only simulation but also experimental data may be used.

In step 212, when the initial surface condition of the inner wall of the processing device cannot be identified, instead of performing the cleaning process of the inner wall of the processing device, the surface condition storage device 107 stores a new surface condition of the inner wall of the processing device. Can be manually replenished and the process of step 201 can be performed.

FIG. 3 shows the gas phase component measuring means (1
02, 103, 104) is a flowchart showing the processing procedure of the component identification computer 116 shown in FIG. 1 when an infrared absorption spectrometer is used.

Next, the processing procedure of the component identifying computer 116 shown in FIG. 1 will be described with reference to FIG.

First, the gas phase component measuring means (102, 10)
3, 104) to read the spectrum (infrared absorption of gas as a function of infrared wavelength) (step A01).

Next, the chemical bond that may exist in the gas is predicted from the wavelength of the absorption peak in the spectrum of the stretching vibration region (short wavelength side) (step A02), and the unit concentrations of various standard gas molecules are estimated. A set of gas molecules containing the chemical bond predicted in step A02 is selected from the storage device that stores the spectrum (step A03).

Next, with N = 1, N kinds of components are selected from the set of gas molecules selected in step A03, and its spectrum or its linear coupling is determined by the spectrum read in step A01 and the allowable error range. It is determined whether or not they match (step A04).

In step A04, if the spectrum or the linear bond matches the spectrum read in step A01 within the allowable error range, the molecular structure of each component (molecule) (each atom in the molecule). (Atomic species and position in the internal coordinate system) are read from the storage device that stores the structures of various molecules (step A05), and the name, molecular structure and concentration (= linear coupling coefficient) of each component of the identified gas are output. (Step A06).

In step A04, if the spectrum or its linear combination does not match the spectrum read in step A01 within the allowable error range, N =
The process of step A04 is repeated with N + 1.

FIGS. 4 and 5 are flowcharts showing the processing procedure of the surface state identifying computer 106 shown in FIG.

Next, the processing procedure of the surface state identification computer 106 shown in FIG. 1 will be described with reference to FIGS.

The process of step B01 shown in FIG. 4 is a process of determining whether or not the surface state data is left in the surface state storage device 107, and when the surface state data is not left in the surface state storage device 107. Is step B11
Then, it is determined that the initial surface state of the inner wall surface of the processing apparatus cannot be identified.

When the surface state data remains in the surface state storage device 107, the surface state (Sj = {S1 = S1 = S1 = S1 = S1 = S1) is selected from the remaining surface state data based on the selection frequency F (J).
j, S2j}) is selected, and the surface state (Sj) is selected as the initial surface state (step B02).

In this embodiment, there are two inner walls of the processing device, that is, the inner wall of the transport pipe (S1j) and the inner wall of the container of the processing device (S2j).

Next, the gas generated by the chemical reaction of the processing reagent supplied at the temperature / flow rate in the recent step 203 with the gas phase in the processing reagent transport pipe and the inner surface of the transport pipe inner surface (S1j) The component (molecule)
Prediction is made by chemical reaction simulation using the computer 108 for chemical reaction simulation (Step B
03), it is determined whether or not the gas component matches the gas component actually measured by the gas phase component measuring means 102 (step B03).

If they do not match in step B03, the processes of steps B01 to B02 are repeated.

If they match in step B03, the gas component actually measured by the gas phase component measuring means 102 in the latest step 203 is the gas phase and the surface state (S2j) in the processing apparatus container under the processing conditions of step 203. ) The components (molecules) of the gas generated by the chemical reaction with the inner wall surface of the container are predicted by the chemical reaction simulation using the chemical reaction simulation computer 108 (step B04), and the gas component is the gas phase component. It is determined whether or not the gas component actually measured by the measuring means 103 matches (step B05).

If they do not match in step B05, the processes of steps B01 to B04 are repeated.

If they match in step B05, the gas component actually measured by the gas phase component measuring means 103 in the latest step 203 chemically reacts with the surface of the substrate 105 under the processing conditions of step 203. The component (molecule) of the generated gas is predicted by a chemical reaction simulation using the computer for chemical reaction simulation 108 (step B06), and the component of the gas is the gas component measured by the gas phase component measuring means 104. It is determined whether or not they match (step B07).

If they do not match in step B07, the processes of steps B01 to B06 are repeated.

If they match in step B07, the current surface state predicted by the chemical reaction simulation using the chemical reaction simulation computer 108 in the latest steps B02 and B04 (SL = {S1L, S2L}) The surface state storage device 107
(Step B08).

Next, based on the judgment that the initial surface state of the latest step 203 is the surface state selected in the latest step B01, each surface state (Sj stored in the surface state storage device 107). ), The adoption frequency (Fj) of the surface state data is calculated again (step B0).
9).

Next, the final state of the surface (the inner wall surface of the processing apparatus or the surface of the substrate) predicted by the chemical reaction simulation using the chemical reaction simulation computer 108 performed in the recent steps B02, B04 and B06 and Output the chemical reaction products (in the gas phase and on the surface) (step B10).

FIG. 6 is a flow chart showing the processing procedure of the chemical reaction simulation computer 108 shown in FIG.

Next, the processing procedure of the chemical reaction simulation computer 108 shown in FIG. 1 will be described with reference to FIG.

First, in a given reaction field (gas phase or surface), a representative of the initial state of possible reactions (atomic species of each atom constituting the chemical reaction system, its initial coordinates and initial velocity) (N pieces) ) Is determined using the given reaction system temperature, gas pressure, and statistical mechanics of the flow velocity of each component (step C01).

Next, assuming that I = 1, the initial state of the first chemical reaction is set to the state (atomic arrangement and velocity) of the reaction system at time t = 0 (step C02), and the chemical arrangement at the atomic arrangement at time t is set. The force F (t) acting on the atoms of the reaction system is calculated based on the first principle, that is, by solving the electron Schroedinger equation (step C03).

Based on the force F (t) acting on the atoms in the chemical reaction system, the atomic arrangement (and the velocity if necessary) at the next time step (in the future by the time width δt) is predicted (step C).
04), it is determined whether or not the chemical reaction system has reached a steady state at that time step (step C0).
5).

If the chemical reaction system has not reached the steady state in step C05, the processes of steps C02 to C03 are repeated until the chemical reaction system reaches the steady state.

When the chemical reaction system reaches a steady state in step C05, I = I + 1 is set, and the above-mentioned step C0 is performed.
The processing from 2 to step C05 is repeated until I> N (step C06).

When I> N, the atomic arrangement and velocity (in the period from the initial state to the steady state) of the chemical reaction system with respect to the N different initial states obtained by the processing of Step C02 to Step 06 are obtained. , The force and the potential are statistically mechanically predicted for the gas molecules and the surface state generated during the processing time given from the data (step 07).

Step 20 in the processing procedure shown in FIG.
2 and step 208, when using a given processing reagent in a given initial surface state of the inner wall of the processing apparatus, the design computer 110 is used to process a process window (process conditions that meet the required specifications regarding the material of the product). Group) design process.

In this design process, basically, the chemical reaction simulation computer 108 is used to execute the chemical reaction simulations in the gas phase and the surface under various conditions, and select the conditions that give results that meet the required specifications. Takes the form.

FIG. 7 shows the design computer 1 shown in FIG.
9 is a flowchart showing an example of a processing procedure when designing a process window according to 10.

Next, referring to FIG. 7, an example of a processing procedure for designing a process window by the design computer 110 shown in FIG. 1 will be described.

Here, in addition to the requirement that a thin film of a desired material be formed on the surface of the substrate, the required specifications regarding the material of the product are such that the processing reagent is other than the surface of the substrate in order to facilitate the control of the processing process. It is also required that they do not react, that is, they do not chemically change.

First, when a given processing reagent component, in this embodiment, a raw material gas, a carrier gas, etc. are mixed,
In the processing apparatus of the present embodiment, the region of the condition in which no chemical reaction occurs, that is, the region of the total flow rate and the flow rate ratio of each component in the present embodiment is allowed by the chemical reaction simulation using the chemical reaction simulation computer 108. Search in the existing condition area (step 301).

In step 301, if sufficient experimental data is available for this chemical reaction, it may be used.

Next, a condition region in which the given processing reagent does not react on the inner wall surface of the reagent transport pipe is searched for from the condition region obtained in step 301 by a chemical reaction simulation using the chemical reaction simulation computer 108. (Step 302).

Next, in step 302, a region under the condition that the given processing reagent does not react on the surface of the inner wall of the CVD reaction container, in this embodiment, a region of flow rate, pressure and inner wall temperature was obtained. A chemical reaction simulation using the computer 108 for chemical reaction simulation is performed to find out from the condition (flow rate ratio) area (step 303).

Next, the given processing reagent reacts so as to grow a thin film of a desired material on the surface of the precursor (substrate) of the product, in the present embodiment, the flow rate ratio and pressure. And a region of substrate temperature is searched (step 30).
4).

The total flow rate area determined in step 302, the flow rate ratio and inner wall temperature area determined in step 303, and the pressure and substrate temperature area finally determined in step 304 are obtained. Process window.

In step 201 and step 205 shown in FIG. 2, the surface state data in the surface state storage device 107 is retrieved and used, and in step 206 and step 211, the chemical reaction using the chemical reaction simulation computer 108 is performed. The surface condition data representing the surface condition of the inner wall of the processing device predicted by the simulation was registered.

In this way, the surface state data of the surface state storage device 107 increases with the use of the processing apparatus of this embodiment, but a sufficient number of surface state data is stored even before use. It must be stored on the device 107.

For example, the inner wall of the processing apparatus, C in this embodiment.
The initial surface state is predicted based on the materials of the inner wall of the CVD container and the gas transport pipe of the VD apparatus 101, and the data (atomic species of surface atoms and position coordinates) are stored in advance.

Further, an atmosphere gas such as oxygen, nitrogen,
It is predicted by a chemical reaction simulation using the chemical reaction simulation computer 108 how the surface state of the surface changes due to the interaction with argon, water vapor, carbon dioxide, etc., and the result is stored.

Furthermore, the surface state expected in the environment peculiar to the device may be stored.

On the other hand, with the use of the processing apparatus of this embodiment,
Since the surface state data in the surface state storage device 107 increases, the search time for the surface state data in step 201 and step 205 may increase infinitely.

In particular, in step 205, after the surface state data in the surface state storage device 107 is taken up, the correspondence between the chemical reaction simulation result and the actual measurement using the chemical reaction simulation computer 108 is tested, and therefore, at random. If taken up, it causes a serious decrease in search speed.

In the present embodiment, the following retrieval priorities are assigned to the respective surface state data of the surface state storage device 107,
It prevents a decrease in search speed.

That is, for the surface state data (SJ), the frequency F (J) adopted as the initial surface state in step 205 is defined, and this is set as the search priority.

F (J) is defined as follows, for example.

F (J) = (nJ + 1) / (NJ + 1) where nJ is the number of times the surface state (SJ) was adopted as the initial surface state in step 205, and NJ is the surface state (SJ). Is registered in the surface state storage device 107, the surface state identification process (step 20 shown in FIG. 2) is performed.
This represents the number of times the process 5) has been performed.

Therefore, when the surface state (SJ) is registered in the surface state storage device 107 for the first time in step 206 or step 211 or by the operator, F (J) = 1.0.

Therefore, even if a certain surface state is registered, if that surface state is not adopted as the current surface state, the search priority gradually decreases, and conversely, if the number of adopted times is large, the search is performed. Higher priority.

That is, it is possible to perform a search in consideration of the history of the surface state of the inner wall of the processing apparatus.

Further, in the processing apparatus of the present embodiment, when the free space of the surface state storage device 107 becomes smaller than a certain value, the surface state data having a low frequency of adoption is also excluded from the storage device. Have

With this function, the manufacturing apparatus of the present invention can be used without paying attention to the memory management of the surface state data.

In this embodiment, the processing device is C
I took up the VD system, but also the resist coating system,
The present invention can be applied to a pattern exposure device, a developing device, and an etching device.

Further, although only one apparatus is taken up in the present embodiment, the present invention, in order to sequentially process the product precursors,
It is applicable even when a plurality of processing devices are used as a single processing device in which modules are connected in series.

For example, a CVD apparatus, a resist coating apparatus,
It may be applied to a module in which a pattern exposure device, a developing device, and an etching device are sequentially connected in series.

As can be seen from the above examples, the use of the processing reagent and the process window designing method of the present invention or the manufacturing apparatus according to the method makes it impossible to use the processing apparatus inner wall and the processing apparatus inner wall in most cases. The surface state of the substrate can be identified, and the rational design of processing reagents and process windows is possible.

[0209] Further, the processing apparatus can promptly deal with the occurrence of defects due to foreign matter from the inner wall of the processing apparatus or foreign matter whose entry route is unknown.

Although the present invention has been specifically described based on the embodiments, it is needless to say that the present invention is not limited to the embodiments and various modifications can be made without departing from the scope of the invention.

[0211]

The effects obtained by typical ones of the inventions disclosed in the present application will be briefly described as follows.

(1) According to the present invention, processing reagents and process conditions satisfying the requirements concerning the material of the element in the semiconductor element manufacturing process and the precision processing process are set to the surface condition of the inner wall of the processing apparatus and the surface of the substrate to be processed. It becomes possible to rationally design based on the information of the state and the chemical reaction, and it is possible to avoid the conventional trial and error process design.

Therefore, it is possible to provide a manufacturing apparatus capable of promptly responding to a wide variety of manufacturing requests and facilitating investigation of the cause of defect occurrence.

(2) According to the present invention, it is possible to promptly deal with the occurrence of defects due to foreign matter from the inner wall of the processing apparatus or foreign matter whose entry route is unknown.

(3) According to the present invention, the adoption frequency is defined in the surface condition data stored in the surface condition storage device, and the surface condition storage device is searched in descending order of the adoption frequency. When the value becomes small, the surface data having a low adoption frequency is eliminated, so that the search speed is prevented from decreasing and the surface state storage device can be effectively used.

[Brief description of the drawings]

FIG. 1 is a block diagram showing a schematic configuration of a processing apparatus that is an embodiment of the present invention.

FIG. 2 is a flowchart showing a processing procedure in the processing apparatus of this embodiment.

3 is a flow chart showing a processing procedure of a component identification computer shown in FIG. 1 when an infrared absorption spectrometer is used as the gas phase component measuring means shown in FIG.

FIG. 4 is a flowchart showing a processing procedure of a surface state identification computer shown in FIG.

5 is a flowchart showing a processing procedure of the surface state identification computer shown in FIG. 1. FIG.

FIG. 6 is a flowchart showing a processing procedure of the computer for chemical reaction simulation shown in FIG.

7 is a flowchart showing an example of a processing procedure when designing a process window by the design computer shown in FIG. 1. FIG.

[Explanation of symbols]

101 ... CVD apparatus, 102, 103, 104 ... Gas phase component measuring means in processing apparatus, 105 ... Substrate such as silicon substrate which is a substrate to be processed, 106 ... Computer for identifying surface state of processing apparatus inner wall, 107 ... Surface state Storage device, 10
8 ... Computer for chemical reaction simulation, 109
... adoption frequency storage device, 110 ... processing reagent and process window design computer, 111 ... process condition optimization computer, 112 ... reagent component flow rate setting device, 113 ... inner wall temperature setting device, 114 ... temperature control setting device, 115 ... Pressure control setting device, 116 ... Computer for gas phase component identification.

Claims (8)

[Claims] 1. In a processing apparatus for processing the surface of a substrate to be processed, a component measuring means for measuring a gas or liquid component in the vicinity of various inner walls inside the processing apparatus, and a chemistry of a given gas or liquid. Calculating the state change on the solid surface of a given solid and the composition of the gas or liquid generated on said solid surface by the reaction, and
Chemical reaction calculation means for calculating the change of chemical species in a given gas or liquid, and surface state data representing the surface state of the various inner walls of the processing device predicted based on the materials of the various inner walls of the processing device are previously stored. As it is stored
A surface state storage device that stores surface state data representing the surface state of various inner walls of the processing apparatus each time the processing process is executed, and a recently executed processing process, in the vicinity of various inner walls of the processing apparatus. Surface condition data representing the surface condition of various inner walls of the processing device that generate a component that matches the gas or liquid component measured by the component measuring means, from among the surface condition data in the surface condition storage device, Surface state identification means for selecting the current surface states of various inner walls of the processing apparatus selected by using the chemical reaction calculation means, and various inner walls of the processing apparatus identified by the surface state identification means Storage means for storing in the surface state storage device surface data representing the surface state of the, and various types of the processing apparatus identified by the surface state identifying means. Under the surface condition of the above, using the chemical reaction predicting means, a predicting means for predicting a processing reagent and a processing condition region for forming a predetermined material layer on the surface of the substrate to be processed, and predicting by the predicting means. And a means for setting a processing condition in the processed processing condition region in the processing device. 2. The surface state identifying means comprises means for storing, for the surface state data stored in the surface state storage device, an adoption frequency at which the surface state data is selected by the surface state identifying means. In the above, the surface state data is taken in order from the one having the largest selection frequency, and the gas or liquid component generated by using the chemical reaction calculation means is defined as an initial state of the surface state represented by the surface state data taken up. And picking up the surface condition data and evaluating the code until the predicted component and the gas or liquid component measured by the component measuring means match. The described processing equipment. 3. When the free space of the surface state storage device becomes smaller than a certain value, the surface state data of the various inner walls of the processing device having a low adoption frequency are sequentially transferred from the surface state storage device. The processing apparatus according to claim 2, further comprising a deleting unit. 4. The infrared ray absorption (I
R), Raman spectroscopy, electron spin resonance (ESR), nuclear magnetic resonance (NMR), light absorption, luminescence, mass spectrometry, or chromatography to measure a gas or liquid component. The processing apparatus according to any one of claims 1 to 3, characterized in that. 5. The processing apparatus according to claim 1, wherein the processing apparatus is a processing apparatus used in semiconductor element manufacturing and precision processing. 6. The processing apparatus is a molecular beam epitaxial growth (MBE) apparatus, a chemical vapor phase thin film growth (CVD) apparatus, a vacuum vapor deposition apparatus, a sputtering apparatus, an ion Custer beam (ICB) apparatus, a thermal oxidation apparatus, a surface diffusion apparatus. , Dry etching equipment, Langmuir Blodgett (L
B) Any one of a film forming apparatus, a resist thin film forming apparatus, a lithographic exposure apparatus, a wet etching apparatus, an ion implantation apparatus, a surface treatment apparatus, an annealing apparatus, or any combination thereof. The processing device according to any one of claims 1 to 4. 7. A method for determining an optimum processing condition for a processing apparatus for processing the surface of a substrate to be processed, comprising: a component measuring means for measuring a gas or liquid component in the vicinity of various inner walls inside the processing apparatus. Calculates the state change on a solid surface of a given solid and the components of the gas or liquid generated on the surface of the solid by a chemical reaction with a gas or liquid, and the change of chemical species on the given gas or liquid The chemical reaction calculation means and the surface state data representing the surface state of the various inner walls of the processing apparatus predicted based on the materials of the various inner walls of the processing apparatus are stored in advance, and each time the processing process is executed. A surface state storage device for storing surface state data representing surface states of various inner walls of the processing apparatus, and for a recently executed processing process. In the above, the surface state data representing the surface state of the various inner walls of the processing device that generates a component that matches the gas or liquid component measured by the component measuring means in the vicinity of the various inner walls of the processing device is the surface. From the surface state data in the state storage device, the chemical reaction calculation means is used to select and identify the current surface state of various inner walls of the processing device predicted thereby, and the identified processing device is identified. The surface state data representing the surface state of each of the various inner walls are stored in the surface state storage device, and under the identified surface states of the various inner walls of the processing apparatus, the chemical reaction prediction means is used to A method for determining optimum processing conditions for a processing apparatus, which comprises determining a processing reagent for forming a predetermined material layer on the surface of a processing substrate and a processing condition region. 8. The surface state data stored in the surface state storage device is used to calculate an adoption frequency with which the surface state data is selected, and the surface state data is selected in descending order of the adoption frequency. Taking the surface state represented by the surface state data taken up as an initial state, the gas or liquid component generated using the chemical reaction calculation means is predicted, and the predicted component and the measured component are The method for determining the optimum processing condition of the processing apparatus according to claim 7, wherein the picking up of the surface state and the evaluation of the code are repeated until the two match.