CN106339561B - A kind of method for numerical simulation of compound multijunction solar cell - Google Patents
A kind of method for numerical simulation of compound multijunction solar cell Download PDFInfo
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Abstract
The invention discloses a kind of method for numerical simulation of compound multijunction solar cell, include: carrying out the generation of space lattice unit to device physics region；The optics of calculating optical layer generates rate and reflectance spectrum；The basic differential equation group of the semiconductor of carrier transport characteristic is separated into Nonlinear System of Equations；The Nonlinear System of Equations is solved, is obtained using nodal value as starting point, increment is the system of linear equations of coefficient；According in device architecture, there are heterojunction boundary non-local quantum tunneling, quantum confinement, the type of non-local interband quantum tunneling and regions, select corresponding Solving Linear method, obtain increment.The present invention can simulate containing multiple hetero-junctions, multiple interband non-local quantum tunneling minor structures, multiple embedded quantum confinement minor structures compound multijunction solar cell in the influence of the parameters to semiconductor devices electric property such as different distributions doping, semiconductor devices geometric dimension, defect kind and characteristic, quantum confinement, different type optics minor structure.
Description
Technical field
The present invention relates to compound multijunction solar cell technical fields, and in particular to a kind of compound multijunction solar cell
Method for numerical simulation.
Background technique
Compound multijunction solar cell is due to being increasingly subject to research people with highest photoelectric conversion efficiency and extensive use
The attention of member and engineering staff have transferred in past ten years from GaInP/GaAs/Ge tradition three-junction solar battery
Tri- knot of GaInP/GaAs/InGaAs, tetra- knot of GaInP/GaAs/InGaAs/InGaAs, AlGaInP/AlGaAs/GaAs/
The structure that five knot of InGaAsP/InGaAs etc. becomes increasingly complex, the Window layer and back surface field layer of the sub- batteries of difference in these structures are past
Toward having band gap width more broader than sub- battery itself, so-called hetero-junctions is formed when broad-band gap is adjacent with low bandgap material,
Carrier exists usually in the form of thermionic emission when through hetero-junctions, often with quantum tunneling, four knots/five knots too
Sub- inside battery in positive electricity pond there is also the hetero-junctions being made of emitter/base region, what this was often determined by quality of materials.
Emitter region is typically due to than relatively thin, close to the critical thickness of quantum confinement, thus there may be quantum confinement, and quantum confinement
Also can exist influences transporting for carrier.Usually with the minor structure of non-local inter-band tunneling, that is, more knot sun of tunnel-through diode connection
The sub- battery of battery, with the increase of knot number, the number of tunnel-through diode is also increasing, for example four knots/five junction batteries are respectively by 3
With 4 tunnel-through diodes.
The analogy methods such as PC-1D, AFORS, AMPS of present day analog solar cell and software implementation cannot handle above-mentioned
Interband non-local quantum tunneling is processed into only relevant to local electric field strength compound by three kinds of physical phenomenons, CROSSLIGHT
Amount, wxAMPS joined defect auxiliary tunnelling enhancement effect, by interband non-local quantum tunneling with carrier lifetime attenuation coefficient
Form show, be still Local Model without consider non-local quantum tunneling spatial correlation.Silvaco,
The business softwares such as Synopsys and its implementation method use so-called non-local quantum tunneling model, however this model does not have
The feature of standby tunnelling region both sides electric current conservation.Above-mentioned software analogy method does not have to be carried out according to semiconductor device structure feature
Heterojunction boundary quantum tunneling, quantum confinement distribution, non-local interband quantum tunneling etc. carry out Numerical-Mode to multijunction solar cell
Quasi- feature.
Summary of the invention
The purpose of the present invention is to provide a kind of method for numerical simulation of compound multijunction solar cell, can simulate containing
Multiple hetero-junctions, multiple interband non-local quantum tunneling minor structures, multiple embedded quantum confinement minor structures compound more tie too
Different distributions doping, semiconductor devices geometric dimension, defect kind and characteristic, quantum confinement, different type optics in positive electricity pond
Influence of the parameters such as minor structure to semiconductor devices electric property.
In order to achieve the above object, the invention is realized by the following technical scheme: a kind of compound multijunction solar cell
Method for numerical simulation, its main feature is that comprising the steps of:
S1, semiconductor devices physical region is carried out according to semiconductor devices geometrical characteristic and semiconductor device structure feature
Space lattice unit generates；
S2, the optical signature according to each optical layer of semiconductor device structure select the optics of corresponding optical layer to generate
The calculation method of rate and reflectance spectrum, and the optics that each optical layer is calculated generates rate and reflectance spectrum；
S3, carrier transport characteristic in leading compound semiconductor structure is partly led using partial differential equation discrete method
Body fundamental differential group is separated into using the nodal value of the basic physical descriptor solved as the Nonlinear System of Equations of variable, non-thread
Property equation group is expressed as fi({xj)=0, wherein i and j is mesh node number；
S4, the Nonlinear System of Equations is solved using default iterative solution algorithm, input node value initial guess will be non-thread
Property equation group expansion, obtain using nodal value as starting point, increment is the system of linear equations of coefficient, which is expressed asIn formulaFor the Jacobian matrix of Nonlinear System of Equations, Δ x is nodal value；
S5, no heterojunction boundary non-local quantum tunneling, quantum confinement, non-local interband quantum tunneling are generated
There are heterojunction boundary non-local quantum tunnels as initial coefficients matrix, and according in semiconductor device structure for Jacobian matrix
It wears, quantum confinement, the type of non-local interband quantum tunneling and region, modifies Jacobian matrix, while according to final
Jacobian matrix character selects corresponding Solving Linear method；
S6, according to corresponding Solving Linear method, solve the system of linear equations, obtain increment；
S7, policy update nodal value is updated using default nodal value, repeats step S4~S6, and meet nonlinear equation
Group, and make entirely to iteratively solve process global convergence.
In the step S2, optical signature includes the thickness of optical layer, the material properties of optical layer and optical layer and electricity
Learn the association of functional layer.
In the step S2, the optics of optical layer generates rate and the calculation method of reflectance spectrum includes:
Indicate position of the thick film in entire semiconductor device structure automatically according to film thickness；
The optical film being made of semiconductor device structure is resolved into multiple film subsystems with thick film；
Equivalent transmissivity and reflectivity are obtained using the optical method of interference thin film to each film subsystem；
According to the equivalent transmissivity and reflectivity of each film subsystem, the reflectivity and transmissivity of whole optical film system are obtained
And the optics of respective layer generates rate.
In the step S3, partial differential equation discrete method is in finite volume method, finite difference calculus and FInite Element
One kind.
In the step S3, the basic differential equation group of semiconductor includes: by the Poisson equation of reflection electrostatic potential, instead
Reflect the quasi- Fermi potential distribution of continuity equation, reflection carrier hole of carrier electrons quasi- Fermi potential distribution continuity equation,
Reflect the power-flow equation of carrier electrons assemblage temperature and reflects five Second Order Partials of power-flow equation of carrier hole assemblage temperature
The equation group of differential elliptic equation composition.
In the step S4, presetting iterative solution algorithm is overall situation Newton-Raphson method.
In the step S5, include, according to heterojunction boundary band arrangement distribution selection in semiconductor device structure
Jacobian matrix generating method and corresponding linear equation group calculation method, specifically:
Marking each heterojunction boundary, there are positions；
Judge that the heterojunction boundary is according to the band arrangement distributed intelligence of heterojunction boundary both sides and both sides doping type
It is no that there are non-local quantum tunnelings；
If it exists, it is determined that non-local quantum tunneling generation area, and it is suitable to encoding according to mesh point coding and relating dot
Sequence determines the shape information of Jacobian matrix, determines that additional association matrix stores according to the shape information of Jacobian matrix
The structure of row vector and column vector executes step S6, solves system of linear equations corresponding to amendment Jacobian matrix；
If it does not exist, S6 is thened follow the steps, line corresponding to the Jacobian matrix without non-local quantum tunneling is solved
Property equation group.
In the step S5, include, according to the interband non-local quantum tunneling minor structure in semiconductor device structure point
Cloth position and type selection Jacobian matrix generating method and corresponding linear equation group calculation method, specifically:
Marking each interband non-local quantum tunneling, there are positions；
According in semiconductor device structure interband non-local quantum tunneling minor structure position and type, judge interband quantum
Whether tunnelling can occur；
If so, determining in non-local quantum tunneling generation area, non-local quantum tunneling energy section and energy section
Both sides grid distributed intelligence, whether from high to low orientation of high energy while with low energy and discrete direction are consistent, with determination
The shape information of Jacobian matrix determines additional association matrix stored row vector sum according to the shape information of Jacobian matrix
The structure of column vector executes step S6, solves system of linear equations corresponding to amendment Jacobian matrix；
If it is not, thening follow the steps S6, linear side corresponding to the Jacobian matrix without non-local quantum tunneling is solved
Journey group.
In the step S5, include, according to quantum confinement minor structure be distributed selection Jacobian matrix generating method with
And corresponding linear equation group calculation method, specifically:
Mark position and the type of each quantum confinement minor structure；
Quantum confinement is judged whether there is according to quantum confinement region band arrangement information；
If so, simultaneous solutionEquation and Poisson equation, the energy caused by because of quantum confinement
Band distribution no longer changes, compound as modifying the corresponding of the Jacobian matrix of continuity equation caused by quantum confinement energy level
Matrix element executes step S6, solves system of linear equations corresponding to amendment Jacobian matrix；
If it is not, thening follow the steps S6, system of linear equations corresponding to the Jacobian matrix of the quantum confinement is solved.
In the step S7, presetting nodal value more new strategy includes linear search, Dog-leg search.
A kind of method for numerical simulation of compound multijunction solar cell of the present invention has the advantage that compared with prior art
The present invention can be simulated containing multiple hetero-junctions, multiple interband non-local quantum tunneling minor structures, multiple embedded quantum confinement
Different distributions doping, device geometries, defect kind and characteristic in the compound multijunction solar cell of structure, quantum confinement,
Influence of the parameters such as different type optics minor structure to device electric property, these electric properties include that optics generates rate point
Compound point caused by cloth, energy band distribution, dark-state/illumination voltage/current curve, spectral response, body fault in material and boundary defect
Cloth, luminescence generated by light fluorescence Spectra of device architecture etc.；It can using thick film/film combinations membrane system interference thin film optical analog method
Automatic identification film thickness simultaneously indicates, and then corresponding optics is selected to generate rate/reflectance spectrum calculation method.
Detailed description of the invention
Fig. 1 is a kind of flow chart of the method for numerical simulation of compound multijunction solar cell of the present invention；
Fig. 2 is that optical film divides schematic diagram；
Fig. 3 is to be distributed selection Jacobian matrix generating method and corresponding linear side according to heterojunction boundary band arrangement
The flow chart of journey group calculation method；
Fig. 4 A and Fig. 4 B are respectively carrier thermionic emission under different band curvatures and quantum tunneling schematic diagram,
In, exist in Fig. 4 A, is not present in Fig. 4 B；
Fig. 5 is from high to low orientation of high energy while with low energy and the consistent Jacobian distribution shape of discrete direction
Schematic diagram；
Fig. 6 is from high to low orientation of high energy while with the low energy Jacobian distribution shape opposite with discrete direction
Schematic diagram；
Fig. 7 be according in device architecture interband non-local quantum tunneling minor structure distributing position and type select
The flow chart of Jacobian matrix generating method and corresponding linear equation group calculation method；
Fig. 8 is that the small lattice point of the coding node big with coding divides the Jacobian of associated interband non-local quantum tunneling
Cloth schematic shapes；
Fig. 9 is that the big lattice point of the coding node small with coding divides the Jacobian of associated interband non-local quantum tunneling
Cloth schematic shapes；
Figure 10 is to be distributed selection Jacobian matrix generating method and corresponding linear equation according to quantum confinement minor structure
The flow chart of group calculation method；
Figure 11 is the overall structure diagram of GaInP/GaAs Double Junction Tandem Solar Cells.
Specific embodiment
The present invention is further elaborated by the way that a preferable specific embodiment is described in detail below in conjunction with attached drawing.
As shown in Figure 1, a kind of method for numerical simulation of compound multijunction solar cell comprising the steps of:
S1, semiconductor devices physical region is carried out according to semiconductor devices geometrical characteristic and semiconductor device structure feature
Space lattice unit generates.
In the present embodiment, the generation of grid cell is consistent with the grid generation method that usual semiconductor device analog uses.
S2, the optical signature according to each optical layer of semiconductor device structure select the optics of corresponding optical layer to generate
The calculation method of rate and reflectance spectrum, and the optics that each optical layer is calculated generates rate and reflectance spectrum.
In embodiment, the optical signature that each optical layer is arranged is thickness, material properties (semiconductor, oxide, gold
Belong to), be associated with electrical functions layers.In solar cell, some layers have exceeded the thickness that closes on of thin film optical interference, such as
Ge battery in GaInP/GaAs/Ge, thickness are more than 100 microns, will if continuing to handle using interference thin film optical means
Lasting oscillation is generated, preferably, in the present embodiment, using by the interference thin film optical analog of thick film/film combinations membrane system
Method, the method includes the steps of indicates position of the thick film in entire device architecture automatically according to film thickness first, so
The optical film being made of device architecture is resolved into multiple film subsystems with thick film afterwards, as shown in Fig. 2, to each film subsystem
Equivalent transmissivity and reflectivity are obtained using the optical method of interference thin film；According to the equivalent transmissivity of each film subsystem and instead
Rate is penetrated, the reflectivity of whole optical film system and the optics generation rate of transmissivity and respective layer are obtained.
S3, carrier transport characteristic in leading compound semiconductor structure is partly led using partial differential equation discrete method
Body fundamental differential group is separated into using the nodal value of the basic physical descriptor solved as the Nonlinear System of Equations of variable, non-thread
Property equation group is expressed as fi({xj)=0, wherein i and j is mesh node number.
The basic differential equation group of these semiconductors is usually by the Poisson equation of reflection electrostatic potential, reflection carrier electrons
Continuity equation, the reflection carrier electricity of the quasi- Fermi potential distribution of continuity equation, the reflection carrier hole of quasi- Fermi potential distribution
The power-flow equation of subensemble temperature and the five second order partial differential ellipse sides of power-flow equation for reflecting carrier hole assemblage temperature
The equation group of Cheng Zucheng.These partial differential equation discrete methods mainly include finite volume method, finite difference calculus and FInite Element
Deng.
S4, the Nonlinear System of Equations is solved using default iterative solution algorithm, input node value initial guess will be non-thread
Property equation group expansion, obtain using nodal value as starting point, increment is the system of linear equations of coefficient, which is expressed asIn formulaFor the Jacobian matrix of Nonlinear System of Equations, Δ x is nodal value.
In the present embodiment, preferably, iteratively solving the Nonlinear System of Equations using overall situation Newton-Raphson method.
S5, no heterojunction boundary non-local quantum tunneling, quantum confinement, non-local interband quantum tunneling are generated
There are heterojunction boundary non-local quantum tunnels as initial coefficients matrix, and according in semiconductor device structure for Jacobian matrix
It wears, quantum confinement, the type of non-local interband quantum tunneling and region, modifies Jacobian matrix, while according to final
Jacobian matrix character selects corresponding Solving Linear method.
Step S5 includes three steps arranged side by side, respectively step S5.1, according to hetero-junctions circle in semiconductor device structure
Face band arrangement distribution selection Jacobian matrix generating method and corresponding linear equation group calculation method；Step S5.2, root
According in semiconductor device structure interband non-local quantum tunneling minor structure distributing position and type selection Jacobian matrix it is raw
At method and corresponding linear equation group calculation method；Step S5.3, selection Jacobian is distributed according to quantum confinement minor structure
Matrix generating method and corresponding linear equation group calculation method；Wherein；
Step S5.1 includes, as shown in Figure 3:
Marking each heterojunction boundary, there are positions；
Judge that the heterojunction boundary is according to the band arrangement distributed intelligence of heterojunction boundary both sides and both sides doping type
It is no that there are non-local quantum tunnelings；
If it exists, it is determined that non-local quantum tunneling generation area, and it is suitable to encoding according to mesh point coding and relating dot
Sequence determines the shape information of Jacobian matrix, determines that additional association matrix stores according to the shape information of Jacobian matrix
The structure of row vector and column vector executes step S6, solves system of linear equations corresponding to amendment Jacobian matrix；
If it does not exist, S6 is thened follow the steps, line corresponding to the Jacobian matrix without non-local quantum tunneling is solved
Property equation group.
Specifically, in the present embodiment, first according to the band arrangement distributed intelligence of hetero-junctions both sides and both sides doping type
The heterojunction boundary is judged with the presence or absence of non-local quantum tunneling, and in the present embodiment, there are heterojunction boundary, there are quantum for confirmation
The principle of tunnelling be high energy side electrostatic potential by energy band to low energy direction be bent, occur tunnelling region be high energy side energy band most
Low value and low energy the heterojunction boundary boundary energy value in the maximum value and high energy of heterojunction boundary boundary energy, such as Fig. 4 A institute
Show, there are quantum tunnelings, and Fig. 4 B is then not present.In the present embodiment, if from high to low row of confirmation high energy while with low energy
In the case of column direction is consistent with discrete direction, distribution of the generated Jacobian matrix with shape as shown in Figure 5, and two
It is a it is contrary in the case of, generated Jacobian matrix has the distribution of shape as shown in Figure 6, right in the present embodiment
In heterojunction boundary non-local quantum tunneling the storage of modified Jacobian matrix added caused by tunnelling using principal matrix
The method of incidence matrix, principal matrix and the discrete gained of semiconductor fundamental differential that not there is heterojunction boundary quantum tunneling
That arrives is identical, and additional association matrix uses the form of undetermined length row vector, and in the present embodiment, the solution of system of linear equations is adopted
It is obtained with the Gaussian elimination method of column selection pivot.
Step S5.2 includes, as shown in Figure 7:
Marking each interband non-local quantum tunneling, there are positions；
According in semiconductor device structure interband non-local quantum tunneling minor structure position and type, judge interband quantum
Whether tunnelling can occur；
If so, determining in non-local quantum tunneling generation area, non-local quantum tunneling energy section and energy section
Both sides grid distributed intelligence, whether from high to low orientation of high energy while with low energy and discrete direction are consistent, with determination
The shape information of Jacobian matrix determines additional association matrix stored row vector sum according to the shape information of Jacobian matrix
The structure of column vector executes step S6, solves system of linear equations corresponding to amendment Jacobian matrix；
If it is not, thening follow the steps S6, linear side corresponding to the Jacobian matrix without non-local quantum tunneling is solved
Journey group.
Specifically, in the present embodiment, first according in device architecture interband non-local quantum tunneling minor structure position and
Type, judges whether interband quantum tunneling can occur, if so, then calculating the common energy area that non-local quantum tunneling occurs
Domain simultaneously generates the discrete node space distribution information in the both sides in the energy area, and the principle according to tunnelling current conservation is non-by both sides
Local derviation numerical value caused by local tunnelling current item is added in the coefficient matrix member of junction associated.According to mesh point distribution situation,
Encode small lattice point has to generated Jacobian matrix is associated with as shown in figure 8, encoding big lattice with the big lattice point of coding
Point with encode small lattice point to be associated with generated distribution of the Jacobian matrix with shape shown in Fig. 9.It is right in the present embodiment
In interband non-local quantum tunneling the storage of modified Jacobian matrix add tunnelling institute using such as the principal matrix of step S5.1
The method of caused incidence matrix, principal matrix and the discrete institute of semiconductor fundamental differential without interband non-local quantum tunneling
What is obtained is identical, and additional association matrix uses the form of undetermined length row vector, in the present embodiment, the solution of system of linear equations
It is obtained using the Gaussian elimination method of column selection pivot.
Step S5.3 includes, as shown in Figure 10:
Mark position and the type of each quantum confinement minor structure；
Quantum confinement is judged whether there is according to quantum confinement region band arrangement information；
If so, simultaneous solutionEquation and Poisson equation, the energy caused by because of quantum confinement
Band distribution no longer changes, compound as modifying the corresponding of the Jacobian matrix of continuity equation caused by quantum confinement energy level
Matrix element executes step S6, solves system of linear equations corresponding to amendment Jacobian matrix；
If it is not, thening follow the steps S6, system of linear equations corresponding to the Jacobian matrix of the quantum confinement is solved.
Specifically, in the present embodiment, first according to the position of the quantum confinement minor structure in device architecture and type, judgement
The region quantum confinement whether there is, if so, then discrete on the areaEquation generates characteristic value side
Journey solves characteristic value and eigenfunction, and the Carrier Profile of quantum confinement is obtained according to the distribution of eigenfunction, and is added in
On Poisson equation on the charge value of related lattice point, two equations of simultaneous solution are until because of the energy caused by quantum confinement repeatedly
Band distribution no longer changes.Carrier continuity equation is solved according to usual sequence later, it is noted herein that continuity side
It needs to increase compound term caused by quantum confinement energy level in corresponding parastrophic matrix member when the Jacobian matrix of journey generates.This
In embodiment, the solution of system of linear equations is obtained using the Gaussian elimination method of column selection pivot.
S6, according to corresponding Solving Linear method, solve the system of linear equations, obtain increment.
S7, policy update nodal value is updated using default nodal value, repeats step S4~S6, and meet nonlinear equation
Group, and make entirely to iteratively solve process global convergence.
In the present embodiment, in order to ensure entire iterative process global convergence, preferably, using include linear search,
Dog-leg, which is searched for and carried out the ways such as selective limitation to the range of increment, updates nodal value, above-mentioned to ensure to be repeated several times
After process, Nonlinear System of Equations is substantially met.
Specifically, as shown in figure 11, by taking GaInP/GaAs Double Junction Tandem Solar Cells as an example comprising metal layer on back 1, GaAs
Buffer layer 2, AlGaAs back surface field 3, the base area GaAs 4, GaInP emitter region 5, AlInP Window layer 6, GaInP n++ doped layer 7,
AlGaAs p++ doped layer 8, AlGaInP back surface field 9, the base area AlGaInP 10, GaInP emitter region 11, AlInP Window layer 12, GaAs
Cap layer 13.The structure is grown on N-shaped GaAs substrate using low pressure metal organic chemical vapor deposition equipment, is existed in total
11 heterojunction boundaries.
For the device architecture, it is as follows to carry out the process that numerical simulation includes:
Step 1 generates grid cell according to each grown layer thickness and doping information, and the grid of generation has from hetero-junctions circle
Face nearby intensive sparse feature at a distance, while the low intensive feature of layer of layer specific concentration that doping concentration is high.
Device architecture is first divided into basic sub- membrane system according to each layer thickness by step 2, and the device architecture is by 2-12
The sub- membrane system 2 that the sub- membrane system 1 and metal layer on back and substrate interface that layer is constituted are constituted forms, among the two by the thick film of layer 1 every
It opens, calculates separately the equivalent reflective and transmission coefficient of sub- membrane system 1 and 2, the reflection of entire device architecture is generated then in conjunction with thickness 2
With transmission coefficient, and then the optics for obtaining each layer in entire device generates rate.
Step 3 uses partial differential equation discrete method by half of carrier transport characteristic in leading compound semiconductor structure
Conductor fundamental differential group is separated into using the nodal value of the basic physical descriptor solved as the Nonlinear System of Equations of variable, this
Step first generates the Jacobian of no heterojunction boundary non-local quantum tunneling, quantum confinement, non-local interband quantum tunneling
Matrix as initial coefficients matrix, then according in device architecture there are heterojunction boundary non-local quantum tunneling, quantum confinement,
Jacobian matrix is modified in the type of non-local interband quantum tunneling and region, while special according to final Jacobian matrix
Sign selects corresponding Solving Linear method, and as shown in step S5.1~S5.3, step S5.1~S5.3 is to carry out parallel
's.
It is of the invention the result shows that wherein AlGaAs back surface field 3 and the base area GaAs 4, GaInP are sent out by above-mentioned numerical simulation
Area 5 and AlInP Window layer 6, AlGaInP back surface field 9 and the base area AlGaInP 10, the base area AlGaInP 10 and GaInP emitter region 11 are penetrated,
There are carrier non-local quantum tunnelings for 5 heterojunction boundaries between GaInP emitter region 11 and AlInP Window layer 12 etc. (such as
Shown in Figure 11 black line), interband non-local quantum tunneling occur GaInP n++ doped layer 7 and AlGaAs p++ doped layer 8 it
Between, in practice it has proved that tunneling characteristics directly restrict entire device performance, and faint quantum confinement is present in the base area GaAs 4 and GaInP
The heterojunction boundaries near zones such as emitter region 5, GaInP emitter region 11 and AlInP Window layer 12, each there is 2-3 quantum confinement
Energy level (darker regions in relevant layers in such as Figure 11), Ground State Energy pole are 6-10meV with a distance from band edge, this shows the quantum confinement
Influence to carrier transport is smaller.
It is discussed in detail although the contents of the present invention have passed through above preferred embodiment, but it should be appreciated that above-mentioned
Description is not considered as limitation of the present invention.After those skilled in the art have read above content, for of the invention
A variety of modifications and substitutions all will be apparent.Therefore, protection scope of the present invention should be limited to the appended claims.
Claims (9)
1. a kind of method for numerical simulation of compound multijunction solar cell, which is characterized in that comprise the steps of:
S1, semiconductor devices physical region is subjected to space according to semiconductor devices geometrical characteristic and semiconductor device structure feature
Grid cell generates；
S2, the optical signature according to each optical layer of semiconductor device structure select the optics of corresponding optical layer to generate rate
And the calculation method of reflectance spectrum, and the optics that each optical layer is calculated generates rate and reflectance spectrum；
S3, using partial differential equation discrete method by leading compound semiconductor structure carrier transport characteristic it is semiconductor-based
This differential equation group is separated into using the nodal value of the basic physical descriptor solved as the Nonlinear System of Equations of variable, non-linear side
Journey group is expressed as f1({xj)=0, wherein i and j is mesh node number；The basic differential equation group of the semiconductor includes: by
Reflect the Poisson equation of electrostatic potential, continuity equation, the reflection carrier hole of the quasi- Fermi potential distribution of reflection carrier electrons
The continuity equation of quasi- Fermi potential distribution, the power-flow equation for reflecting carrier electrons assemblage temperature and reflection carrier hole assemblage
Five second order partial differential elliptic-Cardinal splines of power-flow equation of temperature at equation group；The basic physical descriptor is described
The physical descriptor that the basic differential equation group of semiconductor solves respectively: electrostatic potential, electron quasi-Fermi gesture, the quasi- Fermi potential in hole, electronics
Assemblage temperature, hole assemblage temperature；
S4, the Nonlinear System of Equations, input node value initial guess, by non-linear side are solved using default iterative solution algorithm
The expansion of journey group, obtains using nodal value as starting point, and increment is the system of linear equations of coefficient, which is expressed asIn formulaFor the Jacobian matrix of Nonlinear System of Equations, Δ x is nodal value；
S5, the Jacobian for generating no heterojunction boundary non-local quantum tunneling, quantum confinement, non-local interband quantum tunneling
There are heterojunction boundary non-local quantum tunnelings, quantum as initial coefficients matrix, and according in semiconductor device structure for matrix
Jacobian matrix is modified in limitation, the type of non-local interband quantum tunneling and region, while according to final Jacobian square
The corresponding Solving Linear method of battle array feature selecting；
S6, according to corresponding Solving Linear method, solve the system of linear equations, obtain increment；
S7, policy update nodal value is updated using default nodal value, repeats step S4~S6, and meet Nonlinear System of Equations, and
Make entirely to iteratively solve process global convergence.
2. method for numerical simulation as described in claim 1, which is characterized in that in the step S2, optical signature includes light
The thickness of layer, the material properties of optical layer and optical layer are associated with electrical functions layer.
3. method for numerical simulation as described in claim 1, which is characterized in that in the step S2, the optics of optical layer is produced
Raw rate and the calculation method of reflectance spectrum include:
Indicate position of the thick film in entire semiconductor device structure automatically according to film thickness；
The optical film being made of semiconductor device structure is resolved into multiple film subsystems with thick film；
Equivalent transmissivity and reflectivity are obtained using the optical method of interference thin film to each film subsystem；
According to the equivalent transmissivity and reflectivity of each film subsystem, the reflectivity of whole optical film system and transmissivity and right are obtained
The optics of layer is answered to generate rate.
4. method for numerical simulation as described in claim 1, which is characterized in that in the step S3, partial differential equation are discrete
Method is one of finite volume method, finite difference calculus and FInite Element.
5. method for numerical simulation as described in claim 1, which is characterized in that in the step S4, preset iterative solution and calculate
Method is overall situation Newton-Raphson method.
6. method for numerical simulation as described in claim 1, which is characterized in that in the step S5, include, according to semiconductor
Heterojunction boundary band arrangement distribution selection Jacobian matrix generating method and corresponding linear equation group meter in device architecture
Calculation method, specifically:
Marking each heterojunction boundary, there are positions；
Judge whether the heterojunction boundary is deposited according to the band arrangement distributed intelligence of heterojunction boundary both sides and both sides doping type
In non-local quantum tunneling；
If it exists, it is determined that non-local quantum tunneling generation area, and according to mesh point coding and relating dot to coded sequence, really
The shape information for determining Jacobian matrix determines that additional association matrix stores row vector according to the shape information of Jacobian matrix
With the structure of column vector, amendment Jacobian matrix is obtained, step S6 is executed, solves corresponding to amendment Jacobian matrix
System of linear equations；
If it does not exist, S6 is thened follow the steps, linear equation corresponding to the Jacobian matrix without non-local quantum tunneling is solved
Group.
7. method for numerical simulation as described in claim 1, which is characterized in that in the step S5, include, according to semiconductor
Interband non-local quantum tunneling minor structure distributing position in device architecture and type selection Jacobian matrix generating method with
And corresponding linear equation group calculation method, specifically:
Marking each interband non-local quantum tunneling, there are positions；
According in semiconductor device structure interband non-local quantum tunneling minor structure position and type, judge interband quantum tunneling
Whether can occur；
If so, both sides in determining non-local quantum tunneling generation area, non-local quantum tunneling energy section and energy section
Grid distributed intelligence, whether from high to low orientation of high energy while with low energy and discrete direction are consistent, with determination
The shape information of Jacobian matrix determines additional association matrix stored row vector sum according to the shape information of Jacobian matrix
The structure of column vector obtains amendment Jacobian matrix, executes step S6, solve line corresponding to amendment Jacobian matrix
Property equation group；
If it is not, thening follow the steps S6, system of linear equations corresponding to the Jacobian matrix without non-local quantum tunneling is solved.
8. method for numerical simulation as described in claim 1, which is characterized in that include to be limited according to quantum in the step S5
System structure distribution selects Jacobian matrix generating method and corresponding linear equation group calculation method, specifically:
Mark position and the type of each quantum confinement minor structure；
Quantum confinement is judged whether there is according to quantum confinement region band arrangement information；
If so, simultaneous solutionEquation and Poisson equation, until because the energy band caused by quantum confinement is divided
Cloth no longer changes, the compound corresponding matrix as modifying the Jacobian matrix of continuity equation caused by quantum confinement energy level
Member obtains amendment Jacobian matrix, executes step S6, solve system of linear equations corresponding to amendment Jacobian matrix；
If it is not, thening follow the steps S6, system of linear equations corresponding to the Jacobian matrix of quantum confinement is solved.
9. method for numerical simulation as described in claim 1, which is characterized in that in the step S7, preset nodal value and update
Strategy is searched for comprising linear search, Dog-leg.
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