CN110707208B - A method for adjusting magnetic anisotropy of magnetic tunnel junction and corresponding magnetic tunnel junction - Google Patents

A method for adjusting magnetic anisotropy of magnetic tunnel junction and corresponding magnetic tunnel junction Download PDF

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CN110707208B
CN110707208B CN201910902728.6A CN201910902728A CN110707208B CN 110707208 B CN110707208 B CN 110707208B CN 201910902728 A CN201910902728 A CN 201910902728A CN 110707208 B CN110707208 B CN 110707208B
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程晓敏
连晨
朱云来
缪向水
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Huazhong University of Science and Technology
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Abstract

本发明属于自旋电子学应用领域,公开了一种调整磁隧道结磁各向异性的方法及相应磁隧道结,该调整方法具体是通过在磁隧道结的膜层结构中插入金属夹层来控制电子轨道耦合作用的贡献,从而实现对磁隧道结磁各向异性的调整;初始的所述磁隧道结的膜层结构依次包括势垒层、铁磁层以及非磁性金属覆盖层。本发明基于界面效应,通过加入金属夹层改变Bloch电子态在费米能级附近的分布,进而控制电子轨道间耦合作用项的贡献,实现对磁隧道结磁各向异性的精确调整(如原子磁矩以及磁隧道结的磁各向异性能、磁电系数等),以满足实际应用中的多种需求。特别的,可以获得足够高的垂直磁各向异性解决自旋转移力矩磁存储器写入功耗过高的问题。

Figure 201910902728

The invention belongs to the application field of spintronics, and discloses a method for adjusting the magnetic anisotropy of a magnetic tunnel junction and a corresponding magnetic tunnel junction. The contribution of the electron orbital coupling effect, thereby realizing the adjustment of the magnetic anisotropy of the magnetic tunnel junction; the initial film structure of the magnetic tunnel junction includes a barrier layer, a ferromagnetic layer and a non-magnetic metal cover layer in sequence. Based on the interface effect, the invention changes the distribution of the Bloch electronic state near the Fermi level by adding a metal interlayer, thereby controlling the contribution of the coupling action term between the electron orbitals, and realizing the precise adjustment of the magnetic anisotropy of the magnetic tunnel junction (such as the atomic magnetic field). moment and the magnetic anisotropy energy of the magnetic tunnel junction, magnetoelectric coefficient, etc.) to meet various needs in practical applications. In particular, a sufficiently high perpendicular magnetic anisotropy can be obtained to solve the problem of excessive write power consumption of the spin transfer torque magnetic memory.

Figure 201910902728

Description

一种调整磁隧道结磁各向异性的方法及相应磁隧道结A method for adjusting magnetic anisotropy of magnetic tunnel junction and corresponding magnetic tunnel junction

技术领域technical field

本发明属于自旋电子学应用领域,更具体地,涉及一种调整磁隧道结磁各向异性的方法及相应磁隧道结。The invention belongs to the application field of spintronics, and more particularly, relates to a method for adjusting the magnetic anisotropy of a magnetic tunnel junction and a corresponding magnetic tunnel junction.

背景技术Background technique

众所周知,电子具有电荷和自旋两种内禀属性,电荷决定电子在电场中的表现,自旋则影响电子在磁场中的行为。不同于传统的半导体存储器依赖电荷实现数据的传输和存储,磁随机存储器基于电子自旋效应完成数据状态的翻转。磁随机存储器的发展经历了磁场驱动和电流驱动两个阶段。相比之下,电流驱动型,也就是自旋转移力矩磁存储器,没有附加的写信息线、结构更加简单,且开关电流随着单元尺寸的减小而降低,配套的CMOS集成电路的晶体管尺寸也就更小,可微缩性和存储密度都得以提高。It is well known that electrons have two intrinsic properties, charge and spin. Charge determines how electrons behave in an electric field, while spin affects how electrons behave in a magnetic field. Different from the traditional semiconductor memory that relies on electric charge to realize the transmission and storage of data, the magnetic random access memory completes the inversion of the data state based on the electron spin effect. The development of magnetic random access memory has gone through two stages of magnetic field drive and current drive. In contrast, the current-driven type, that is, the spin transfer torque magnetic memory, has no additional writing information lines, the structure is simpler, and the switching current decreases with the reduction of the cell size, and the transistor size of the matching CMOS integrated circuit is reduced. Also smaller, scalability and storage density are improved.

磁隧道结是自旋转移力矩磁存储器的核心存储单元,是一种类似三明治的膜层结构,包括钉扎层、自由层以及势垒层。在磁隧道结中,信息的存储依赖于自由层中磁化状态的保持能力,也就是磁性电极的热稳定性能;读操作要求磁阻器件的隧穿磁阻比足够大,稳态下的阻值可区分;写操作通过改变自由层的磁化方向来进行,受到临界写入电流密度的影响。同时满足热稳定性和写入电流两方面的性能诉求对于自旋转移力矩磁存储器来说是一个重大的挑战。类似于早期的磁记录介质,磁隧道结的热稳定因子由磁化翻转时的能量势垒和工作温度之比决定:The magnetic tunnel junction is the core storage unit of the spin transfer torque magnetic memory, which is a sandwich-like film structure including a pinned layer, a free layer and a barrier layer. In the magnetic tunnel junction, the storage of information depends on the retention of the magnetization state in the free layer, that is, the thermal stability of the magnetic electrode; the read operation requires that the tunneling magnetoresistance ratio of the magnetoresistive device is large enough, and the resistance value under steady state Differentiable; the write operation is performed by changing the magnetization direction of the free layer, which is affected by the critical write current density. Satisfying the performance requirements of both thermal stability and write current at the same time is a major challenge for spin transfer torque magnetic memories. Similar to early magnetic recording media, the thermal stability factor of a magnetic tunnel junction is determined by the ratio of the energy barrier at magnetization reversal and the operating temperature:

Figure BDA0002211674590000011
Figure BDA0002211674590000011

其中,各向异性能密度Ku是饱和磁化强度MS和自由层的各向异性磁场Hk共同决定的。而写入电流通常由临界开关电流密度Jc0进行表征,Jc0指的是自由层磁矩在小幅值脉冲作用下持续进动所需的电流密度,其幅值与10ns脉宽下的中值开关电流密度Jc相当:Among them, the anisotropic energy density Ku is jointly determined by the saturation magnetization MS and the anisotropic magnetic field H k of the free layer. The write current is usually characterized by the critical switching current density J c0 , which refers to the current density required for the free-layer magnetic moment to continue precessing under the action of a small-amplitude pulse. The value of switching current density J c is equivalent to:

Figure BDA0002211674590000021
Figure BDA0002211674590000021

其中,η、α、t和H⊥eff依次为自由层的自旋传输效率、阻尼系数、薄膜厚度和面外方向退磁场。显然,采用强垂直磁各向异性的材料作为磁隧道结的磁性层可以改善磁隧道结的热稳定性,但是也会带来开关电流过大,写入功耗居高不下的问题。此外,新的材料体系可能存在结构复杂的问题,不利于实验上制备单晶外延的磁隧道结器件。where η, α, t, and H ⊥eff are the spin transport efficiency, damping coefficient, film thickness, and out-of-plane demagnetization field of the free layer, respectively. Obviously, using a material with strong perpendicular magnetic anisotropy as the magnetic layer of the magnetic tunnel junction can improve the thermal stability of the magnetic tunnel junction, but it will also bring about the problem of excessive switching current and high write power consumption. In addition, the new material system may have the problem of complex structure, which is not conducive to the experimental preparation of single crystal epitaxial magnetic tunnel junction devices.

为了解决上述难题、更高效的控制磁隧道结的磁化状态,研究人员提出了一些辅助信息写入的机制:电场辅助、热辅助以及微波辅助。其中,电场辅助对铁磁层磁化状态的调节更为灵活,临界电流密度的降低也更为显著。需要注意的是,电场对磁各向异性的影响仅局限于表面或界面处的几个原子层。特别地,当薄膜厚度达到亚微米尺度时,界面非对称的晶格结构、缺陷和应力等界面效应将凸现出来,对器件性能产生直接影响。自2010年Ikeda等人通过函数拟合提出垂直磁各向异性是由界面效应引起的,大量的工作集中于界面垂直磁各向异性的物理起源。主流观点认为,垂直磁各向异性是由费米能级处的电子轨道杂化作用导致的。Hallal等人对磁各向异性能按原子层进行分解,发现邻近界面的磁性原子层对磁各向异性都有贡献。还有一些工作致力于获得更强的垂直磁各向异性,研究了界面氧化状态、非磁性金属覆盖层和重金属掺杂对磁各向异性的影响。因此,进一步探索磁隧道结膜层结构的界面效应对于解决工艺兼容性问题和指导器件设计来说是很有必要的。In order to solve the above problems and control the magnetization state of the magnetic tunnel junction more efficiently, the researchers proposed some mechanisms for assisting information writing: electric field assistance, thermal assistance, and microwave assistance. Among them, the adjustment of the magnetization state of the ferromagnetic layer by the electric field is more flexible, and the reduction of the critical current density is also more significant. It is important to note that the effect of the electric field on the magnetic anisotropy is limited to a few atomic layers at the surface or interface. In particular, when the film thickness reaches the sub-micron scale, interfacial effects such as the asymmetric lattice structure, defects and stress of the interface will emerge, which will have a direct impact on the device performance. Since Ikeda et al. proposed that the perpendicular magnetic anisotropy is caused by the interface effect through function fitting in 2010, a lot of work has focused on the physical origin of the interface perpendicular magnetic anisotropy. The prevailing view is that the perpendicular magnetic anisotropy is caused by the hybridization of electron orbitals at the Fermi level. Hallal et al. decomposed the magnetic anisotropy energy by atomic layers and found that the magnetic atomic layers adjacent to the interface contributed to the magnetic anisotropy. There are also works devoted to obtaining stronger perpendicular magnetic anisotropy, investigating the effects of interfacial oxidation state, non-magnetic metal capping layers, and heavy metal doping on the magnetic anisotropy. Therefore, it is necessary to further explore the interface effect of the magnetic tunnel conjunctival layer structure to solve the process compatibility problem and guide the device design.

发明内容SUMMARY OF THE INVENTION

针对现有技术的以上缺陷或改进需求,本发明的目的在于提供一种调整磁隧道结磁各向异性的方法及相应磁隧道结,该调整方法基于界面效应,通过加入金属夹层(还可通过进一步调节金属夹层的元素种类、作用位置和夹层厚度等),改变Bloch电子态在费米能级附近的分布,通过调整有效角动量矩阵单元的大小,进而控制电子轨道间耦合作用项的贡献,实现对磁隧道结磁各向异性的精确调整(如原子磁矩以及磁隧道结的磁各向异性能、磁电系数等),以满足实际应用中的多种需求。特别的,可以获得足够高的垂直磁各向异性,解决自旋转移力矩磁存储器写入功耗过高的问题;此外,该方法还能减小界面处的晶格失配度,有助于磁隧道结的外延制备和性能改善。In view of the above defects or improvement requirements of the prior art, the purpose of the present invention is to provide a method for adjusting the magnetic anisotropy of a magnetic tunnel junction and a corresponding magnetic tunnel junction. The adjustment method is based on the interface effect. Further adjust the element type, action position and interlayer thickness of the metal interlayer, change the distribution of Bloch electronic states near the Fermi level, and control the contribution of the coupling interaction term between electron orbitals by adjusting the size of the effective angular momentum matrix unit. The precise adjustment of the magnetic anisotropy of the magnetic tunnel junction (such as the atomic magnetic moment, the magnetic anisotropy energy of the magnetic tunnel junction, the magnetoelectric coefficient, etc.) can be realized to meet various needs in practical applications. In particular, a sufficiently high perpendicular magnetic anisotropy can be obtained to solve the problem of excessive write power consumption of the spin transfer torque magnetic memory; in addition, this method can also reduce the lattice mismatch at the interface, which is helpful for Epitaxial fabrication and performance improvement of magnetic tunnel junctions.

为实现上述目的,按照本发明的一个方面,提供了一种调整磁隧道结磁各向异性的方法,其特征在于,该方法是通过在磁隧道结的膜层结构中插入金属夹层来控制电子轨道耦合作用的贡献,从而实现对磁隧道结磁各向异性的调整;初始的所述磁隧道结的膜层结构依次包括势垒层、铁磁层以及非磁性金属覆盖层。In order to achieve the above object, according to one aspect of the present invention, a method for adjusting the magnetic anisotropy of a magnetic tunnel junction is provided, characterized in that, the method is to control electrons by inserting a metal interlayer in the film structure of the magnetic tunnel junction The magnetic anisotropy of the magnetic tunnel junction can be adjusted by the contribution of the orbital coupling effect; the initial film structure of the magnetic tunnel junction includes a barrier layer, a ferromagnetic layer and a non-magnetic metal cover layer in sequence.

作为本发明的进一步优选,所述对磁隧道结磁各向异性的调整具体包括:对原子磁矩、磁各向异性能或磁电系数的调整。As a further preference of the present invention, the adjustment of the magnetic anisotropy of the magnetic tunnel junction specifically includes: adjustment of atomic magnetic moment, magnetic anisotropy energy or magnetoelectric coefficient.

作为本发明的进一步优选,所述金属夹层所采用的金属元素选自Ⅷ族过渡金属元素、Ag以及Au;优选的,所述Ⅷ族过渡金属元素选自Rh、Ir、Ni以及Pd。As a further preference of the present invention, the metal element used in the metal interlayer is selected from Group VIII transition metal elements, Ag and Au; preferably, the Group VIII transition metal element is selected from Rh, Ir, Ni and Pd.

作为本发明的进一步优选,插入的所述金属夹层位于势垒层/铁磁层界面处,或者位于铁磁层内部,或者位于铁磁层/非磁性金属覆盖层界面处。As a further preference of the present invention, the inserted metal interlayer is located at the interface of the barrier layer/ferromagnetic layer, or located inside the ferromagnetic layer, or located at the interface of the ferromagnetic layer/non-magnetic metal capping layer.

作为本发明的进一步优选,所述金属夹层的厚度不超过10个原子层。As a further preference of the present invention, the thickness of the metal interlayer does not exceed 10 atomic layers.

作为本发明的进一步优选,该方法在向磁隧道结的膜层结构中插入金属夹层的同时,还额外引入了外电场作为辅助,外电场能够调整电子轨道在费米能级处的占据情况,从而辅助对磁隧道结的磁各向异性的调整。As a further preference of the present invention, in this method, while inserting a metal interlayer into the film structure of the magnetic tunnel junction, an external electric field is additionally introduced as an auxiliary, and the external electric field can adjust the occupancy of the electron orbitals at the Fermi level, Thereby, the adjustment of the magnetic anisotropy of the magnetic tunnel junction is assisted.

作为本发明的进一步优选,初始的所述磁隧道结的膜层结构依次包括MgO层、Fe原子层和Pt原子层,其中,所述MgO层的厚度为4个原子层,Fe原子层的厚度为8个原子层,Pt原子层的厚度为3个原子层;并且,所述在磁隧道结膜层结构中插入金属夹层,具体是在MgO/Fe界面插入厚度为1~3个原子层的Rh原子层作为金属夹层。As a further preference of the present invention, the initial film structure of the magnetic tunnel junction sequentially includes an MgO layer, an Fe atomic layer and a Pt atomic layer, wherein the thickness of the MgO layer is 4 atomic layers, and the thickness of the Fe atomic layer is 4 atomic layers. The thickness of the Pt atomic layer is 8 atomic layers, and the thickness of the Pt atomic layer is 3 atomic layers; and the metal interlayer is inserted into the magnetic tunnel conjunctival layer structure, specifically, the thickness of 1 to 3 atomic layers of Rh is inserted at the MgO/Fe interface Atomic layers act as metal interlayers.

按照本发明的另一方面,本发明提供了利用上述方法得到的磁各向异性调整后的磁隧道结。According to another aspect of the present invention, the present invention provides the magnetic anisotropy-adjusted magnetic tunnel junction obtained by the above method.

通过本发明构思的以上技术方案,与现有技术相比,通过加入金属夹层,能够改变Bloch电子态在费米能级处的分布,从而改变电子轨道耦合作用项的贡献,实现对磁隧道结磁各向异性的调控。此外,在插入金属夹层的同时还可以引入电场辅助机制,对磁隧道结的磁各向异性实现更精确地调控,引入外电场作用会调整电子轨道在费米能级处的占据情况。Through the above technical solutions conceived of the present invention, compared with the prior art, by adding a metal interlayer, the distribution of the Bloch electronic state at the Fermi level can be changed, thereby changing the contribution of the electronic orbital coupling term, and realizing the magnetic tunnel junction. Regulation of Magnetic Anisotropy. In addition, the electric field-assisted mechanism can be introduced while inserting the metal interlayer to achieve more precise control of the magnetic anisotropy of the magnetic tunnel junction. The introduction of an external electric field can adjust the occupancy of the electron orbitals at the Fermi level.

本发明中的调整方法具体是在典型的磁隧道结膜层结构中插入金属夹层来改变界面电子结构的分布,从而实现对磁隧道结磁各向异性的调整。通过插入金属夹层,并优选通过对关键的金属夹层元素种类、作用位置、薄膜厚度等进行改进,与现有技术相比可以显著提高磁隧道结的垂直磁各向异性,解决磁存储器在小型化过程中遇到的热稳定性问题。Specifically, the adjustment method in the present invention is to insert a metal interlayer into the typical magnetic tunnel junction film layer structure to change the distribution of the interface electronic structure, thereby realizing the adjustment of the magnetic anisotropy of the magnetic tunnel junction. By inserting a metal interlayer, and preferably by improving the types of key metal interlayer elements, action positions, film thickness, etc., the perpendicular magnetic anisotropy of the magnetic tunnel junction can be significantly improved compared with the prior art, solving the problem of miniaturization of magnetic memory. Thermal stability issues encountered during the process.

具体说来,本发明具有如下优点:Specifically, the present invention has the following advantages:

(1)本发明通过插入金属夹层,并优选通过控制金属夹层的元素种类、作用位置以及薄膜厚度,能够改变Bloch电子态在费米能级附近的分布,控制电子轨道间耦合作用项的贡献,精确调控磁隧道结的磁各向异性,用以获得足够高的垂直磁各向异性能,解决自旋转移力矩磁存储器在发展过程中遇到的热稳定性问题。金属夹层采用不同的金属元素、插入位置、膜层厚度都会导致迥异的磁各向异性行为,可以满足磁隧道结的磁各向异性在不同应用场景下的需求。(1) The present invention can change the distribution of Bloch electronic states near the Fermi level by inserting a metal interlayer, and preferably by controlling the element species, action position and film thickness of the metal interlayer, and control the contribution of the coupling interaction term between electron orbitals, The magnetic anisotropy of the magnetic tunnel junction is precisely regulated to obtain a sufficiently high perpendicular magnetic anisotropy energy to solve the thermal stability problem encountered in the development of the spin transfer torque magnetic memory. The use of different metal elements, insertion positions, and film thicknesses in the metal interlayer will lead to different magnetic anisotropy behaviors, which can meet the needs of the magnetic anisotropy of the magnetic tunnel junction in different application scenarios.

(2)选择合适的金属材料用作磁隧道结的界面夹层,可以起到缓冲层的作用,减小势垒层和铁磁层间的晶格失配度和界面应力,有助于实现器件的外延制备和性能改善。(2) Selecting a suitable metal material as the interface interlayer of the magnetic tunnel junction can play the role of a buffer layer, reduce the lattice mismatch degree and interface stress between the barrier layer and the ferromagnetic layer, and help realize the device. Epitaxial fabrication and performance improvement.

(3)在调整界面膜层结构的同时引入电场辅助写入机制,进一步降低磁化反转所需的临界电流密度,实现高存储密度、低功耗磁存储。(3) Introducing an electric field-assisted writing mechanism while adjusting the interface film layer structure, further reducing the critical current density required for magnetization reversal, and realizing high storage density and low power consumption magnetic storage.

附图说明Description of drawings

图1为本发明所述磁隧道结的结构示意图。FIG. 1 is a schematic structural diagram of the magnetic tunnel junction according to the present invention.

图2为本发明所述调整磁隧道结磁各向异性的方法流程示意图。FIG. 2 is a schematic flowchart of the method for adjusting the magnetic anisotropy of the magnetic tunnel junction according to the present invention.

图3为本发明实施例1中VASP计算的模型原理图。FIG. 3 is a schematic diagram of a model for VASP calculation in Embodiment 1 of the present invention.

图4为本发明实施例1所述MgO/Fe_8ML/Pt的电子结构特性,图4中的(a)和(b)分别是MgO/Fe界面处Fe原子d轨道的分波态密度和少数自旋能带。Figure 4 shows the electronic structure characteristics of MgO/Fe_8ML/Pt according to Example 1 of the present invention, and (a) and (b) in Figure 4 are the partial wave density of states of the d orbital of Fe atoms at the interface of MgO/Fe and a few self-propelled states, respectively. Spin energy band.

图5为本发明实施例1所述MgO/Rh_1ML/Fe_8ML/Pt的电子结构特性,图5中的(a)和(b)分别是Rh/Fe界面处Fe原子d轨道的分波态密度和少数自旋能带。Figure 5 is the electronic structure characteristics of MgO/Rh_1ML/Fe_8ML/Pt according to Example 1 of the present invention, (a) and (b) in Figure 5 are the partial wave density of states of Fe atom d orbital at Rh/Fe interface and few spin bands.

图6为本发明实施例1所述MgO/Ir_1ML/Fe_8ML/Pt的电子结构特性,图6中的(a)和(b)分别是Ir/Fe界面处Fe原子d轨道的分波态密度和少数自旋能带。FIG. 6 is the electronic structure characteristics of MgO/Ir_1ML/Fe_8ML/Pt according to Example 1 of the present invention, and (a) and (b) in FIG. 6 are the partial wave density of states of the d orbital of Fe atom at the Ir/Fe interface and few spin bands.

图7为本发明实施例2所述在MgO/Fe/Pt不同位置加入金属夹层的差分电荷密度及其面内平均分布曲线,图7中的(a)、(b)、(c)依次对应MgO/Fe界面、铁磁层内部以及Fe/Pt界面加入金属夹层的情况,其中,曲线正向峰值对应区域表示电子聚集,曲线负向峰值对应区域表示电子耗散。FIG. 7 is the differential charge density and its in-plane average distribution curve of adding metal interlayers at different positions of MgO/Fe/Pt according to Example 2 of the present invention, and (a), (b) and (c) in FIG. 7 correspond in turn In the case of adding metal interlayers at the MgO/Fe interface, inside the ferromagnetic layer, and at the Fe/Pt interface, the area corresponding to the positive peak of the curve represents electron accumulation, and the area corresponding to the negative peak of the curve represents electron dissipation.

图8为本发明实施例4所述磁隧道结MgO/Fe/Pt的磁各向异性能密度在电场下的变化趋势,铁磁层厚度依次设置为5、9、13个Fe原子层。8 shows the variation trend of the magnetic anisotropy energy density of the magnetic tunnel junction MgO/Fe/Pt according to Embodiment 4 of the present invention under an electric field, and the thickness of the ferromagnetic layer is set to 5, 9, and 13 Fe atomic layers in sequence.

具体实施方式Detailed ways

为了使本发明的目的、技术方案及优点更加清楚明白,以下结合附图及实施例,对本发明进行进一步详细说明。应当理解,此处所描述的具体实施例仅用以解释本发明,并不用于限定本发明。此外,下面所描述的本发明各个实施方式中所涉及到的技术特征只要彼此之间未构成冲突就可以相互组合。In order to make the objectives, technical solutions and advantages of the present invention clearer, the present invention will be further described in detail below with reference to the accompanying drawings and embodiments. It should be understood that the specific embodiments described herein are only used to explain the present invention, but not to limit the present invention. In addition, the technical features involved in the various embodiments of the present invention described below can be combined with each other as long as they do not conflict with each other.

本发明中调整磁隧道结磁各向异性的方法,具体是基于界面效应来调整磁隧道结磁各向异性,通过在典型的磁隧道结膜层结构中加入金属夹层,可以改变有效角动量矩阵单元的大小,调节界面原子的电子轨道耦合作用,从而调整原子磁矩以及磁隧道结的磁各向异性。进一步,引入电场辅助磁化反转可以更精确的调节磁隧道结的磁各向异性,调节幅度也更大。The method for adjusting the magnetic anisotropy of the magnetic tunnel junction in the present invention is specifically to adjust the magnetic anisotropy of the magnetic tunnel junction based on the interface effect. By adding a metal interlayer to the typical magnetic tunnel junction film layer structure, the effective angular momentum matrix unit can be changed. The size of , adjusts the electronic orbital coupling of interface atoms, thereby adjusting the atomic magnetic moment and the magnetic anisotropy of the magnetic tunnel junction. Furthermore, the introduction of electric field-assisted magnetization reversal can more precisely adjust the magnetic anisotropy of the magnetic tunnel junction, and the adjustment range is also larger.

本发明基于密度泛函理论,通过计算加入金属夹层前后磁隧道结磁各向异性能和界面电子结构的变化,得到金属夹层的元素种类、作用位置以及薄膜厚度对磁隧道结磁各向异性的影响。具体地,第一性原理计算基于Hafner课题组开发的VASP软件包展开,采用缀加投影波赝势来近似描述原子核和内层电子产生的复杂势场,并采用广义梯度近似作为电子间交换关联泛函。平面波截断动能设置为500eV,布里渊区的采样使用Γ点为中心的Monkhorst-Pack法,网格大小设置为17×17×1。磁各向异性能取决于磁隧道结在不同晶向下磁化能的差异,其一般表达式为:Based on the density functional theory, the invention obtains the effect of the element type, action position and film thickness of the metal interlayer on the magnetic tunnel junction magnetic anisotropy by calculating the changes of the magnetic tunnel junction magnetic anisotropy and the interface electronic structure before and after adding the metal interlayer. influences. Specifically, the first-principles calculations are carried out based on the VASP software package developed by Hafner's research group. The pseudopotential plus projected wave is used to approximate the complex potential field generated by the nucleus and inner electrons, and the generalized gradient approximation is used as the exchange correlation between electrons. functional. The truncation kinetic energy of the plane wave is set to 500 eV, the sampling of the Brillouin zone uses the Monkhorst-Pack method with the Γ point as the center, and the grid size is set to 17 × 17 × 1. The magnetic anisotropy energy depends on the difference in the magnetization energy of the magnetic tunnel junction in different crystallites, and its general expression is:

MAE=E100-E001 MAE=E 100 -E 001

其中E100和E001分别为磁隧道结在面内方向和面外方向的磁化能;磁电系数则是磁各向异性能对电场的一阶导数,电场的施加是通过在真空层中加入偶极矩实现的;电子结构的分析是基于自旋-轨道耦合的二阶微扰理论进行的,这里给出一个经验公式:where E 100 and E 001 are the magnetization energy of the magnetic tunnel junction in the in-plane and out-of-plane directions, respectively; the magnetoelectric coefficient is the first derivative of the magnetic anisotropy energy to the electric field, and the electric field is applied by adding The dipole moment is realized; the analysis of the electronic structure is based on the second-order perturbation theory of spin-orbit coupling. Here is an empirical formula:

Figure BDA0002211674590000061
Figure BDA0002211674590000061

其中lz和lx分别代表面外和面内的角动量算符,So和Se则分别表示某个波矢下的电子占据态和电子空态。Among them, l z and l x represent the out-of-plane and in-plane angular momentum operators, respectively, and S o and S e represent the electron-occupied state and electron-empty state under a certain wave vector, respectively.

本发明中计算磁隧道结磁各向异性和电子结构的流程如图2所示,主要包括:The process of calculating the magnetic tunnel junction magnetic anisotropy and electronic structure in the present invention is shown in Figure 2, which mainly includes:

(1)建模,对所选体相结构切表面、拼接,得到初始界面结构;(1) Modeling, cutting and splicing the selected bulk structure to obtain the initial interface structure;

(2)结构弛豫,考虑自旋极化作用,降低体系自由能,获得相对稳定的结构,结构收敛的标准是每个原子上的残余应力低于

Figure BDA0002211674590000071
(2) Structural relaxation, consider spin polarization, reduce the free energy of the system, and obtain a relatively stable structure. The criterion for structural convergence is that the residual stress on each atom is lower than
Figure BDA0002211674590000071

(3)静态自洽计算,分两步进行,考虑自旋极化作用,得到电荷密度。波函数等信息,再加入电场作用,对电子基本信息做电场下的修正,能量的收敛标准设置为10-6eV;(3) The static self-consistent calculation is carried out in two steps, and the charge density is obtained by considering the spin polarization. wave function and other information, and then add the action of the electric field to correct the basic information of the electrons under the electric field, and set the energy convergence standard to 10 -6 eV;

(4)非自洽性质计算,开启自旋-轨道耦合,设置初始磁矩,得到不同方向的磁化能,能量的收敛标准设置为10-6eV;(4) Non-self-consistent property calculation, turn on the spin-orbit coupling, set the initial magnetic moment, obtain the magnetization energy in different directions, and set the energy convergence standard to 10 -6 eV;

(5)非自洽性质计算,设置合适的K点采样频率得到结构的态密度,设置合适的采样路径和频率并修改K-POINT文件为line-mode模式得到结构的能带。(5) Calculation of non-self-consistent properties, set the appropriate K-point sampling frequency to obtain the density of states of the structure, set the appropriate sampling path and frequency, and modify the K-POINT file to line-mode mode to obtain the energy band of the structure.

下面通过借助具体实施例来进一步说明本发明的实质性特点和明显的改善,但本发明绝不仅限于以下实施例。The substantive features and obvious improvements of the present invention will be further described below by means of specific examples, but the present invention is by no means limited to the following examples.

实施例1:Example 1:

本实施例通过第一性原理计算揭示了改变金属夹层的元素种类可以极大地调整MgO/Fe/Pt磁隧道结的磁各向异性。This example reveals through first-principles calculations that changing the element species of the metal interlayer can greatly adjust the magnetic anisotropy of the MgO/Fe/Pt magnetic tunnel junction.

本实施例采用的计算模型如图3所示,沿(001)晶向依次是10nm真空层、4ML的MgO、1ML的金属夹层、8ML的Fe、3ML的Pt以及10nm真空层。为了保证界面结构的一致性,选择bcc-Fe作为界面匹配的标准,使其他膜层产生相应形变并将面内晶格常数固定在

Figure BDA0002211674590000072
The calculation model used in this embodiment is shown in Fig. 3. Along the (001) crystallographic direction, the order is 10nm vacuum layer, 4ML MgO, 1ML metal interlayer, 8ML Fe, 3ML Pt and 10nm vacuum layer. In order to ensure the consistency of the interface structure, bcc-Fe is selected as the interface matching standard, so that other layers are deformed accordingly and the in-plane lattice constant is fixed at
Figure BDA0002211674590000072

备选夹层材料包括Ⅷ族过渡金属、银Ag以及金Au,其中Co、Ru以及Os的晶胞是密排六方结构,很难找到合适的晶面与bcc-Fe(001)面进行拼接(考虑到铁磁层材料的多样性,也不排除Co、Ru以及Os作为金属夹层调节磁隧道结磁各向异性的可能性);Fe、Pt分别是磁隧道结存储单元的铁磁层和非磁性覆盖层。因此,本实施例主要讨论了在MgO/Fe界面处插入Rh、Ir、Ni、Pd、Ag以及Au单原子层时的情况。在所选择的材料中,Ni(001)面与Fe(001)面的晶格失配度为13.06%,其他材料与Fe(001)面的晶格失配度都在10%以内,属于合理的范围。加入金属夹层后模型略显复杂,为了兼顾计算效率和准确性,模型的弛豫分为两步:考虑金属夹层与MgO、Fe形成的单界面模型,对其进行弛豫得到界面处的结构参数;在此基础上构建含有金属夹层的模型进行弛豫,并计算其磁各向异性能和电子结构。Alternative interlayer materials include group VIII transition metals, silver Ag, and gold Au, in which the unit cells of Co, Ru and Os are close-packed hexagonal structures, and it is difficult to find suitable crystal planes for splicing with bcc-Fe(001) planes (consider To the diversity of ferromagnetic layer materials, it does not rule out the possibility that Co, Ru and Os can be used as metal interlayers to adjust the magnetic anisotropy of the magnetic tunnel junction); Fe and Pt are the ferromagnetic layer and nonmagnetic layer of the magnetic tunnel junction memory unit, respectively. overlay. Therefore, this embodiment mainly discusses the case where Rh, Ir, Ni, Pd, Ag and Au single atomic layers are inserted at the MgO/Fe interface. Among the selected materials, the lattice mismatch degree between the Ni(001) plane and the Fe(001) plane is 13.06%, and the lattice mismatch degree between other materials and the Fe(001) plane is within 10%, which is reasonable range. After adding the metal interlayer, the model is slightly complicated. In order to take into account the calculation efficiency and accuracy, the relaxation of the model is divided into two steps: consider the single interface model formed by the metal interlayer and MgO and Fe, and relax it to obtain the structural parameters at the interface. ; On this basis, a model containing a metal interlayer is constructed for relaxation, and its magnetic anisotropy energy and electronic structure are calculated.

表1给出了在MgO/Fe界面加入1ML的金属夹层时磁隧道结的磁各向异性能密度,并将之与MgO/Fe_8ML/Pt磁隧道结的磁各向异性能密度进行对比,其中正值表示垂直磁各向异性,负值表示面内磁各向异性,绝对值越大,说明相关方向上的磁各向异性能越大。下文各表中的磁各向异性能的数据及符号含义与此相同。从表1中可以看出,选择的夹层材料不同,得到的磁各向异性能会有很大差异:插入1ML Rh薄膜时,诱导产生的原子磁矩最大,磁隧道结的垂直磁各向异性最强;插入1ML Ir薄膜时,磁隧道结的易磁化轴由面外转向面内,表现出明显的面内磁各向异性;插入1ML Ni或Pd薄膜时,磁隧道结的垂直磁各向异性相比MgO/Fe_8ML/Pt来说有所改善;插入1ML Ag或Au时,磁隧道结的磁各向异性大幅减弱。本实施例中,Fe/Pt界面在所有界面模型中保持一致,对磁各向异性行为的贡献相同,因而上述磁各向异性能的差异主要是金属夹层/Fe界面处原子间轨道耦合作用不同导致的。Table 1 shows the magnetic anisotropy energy density of the magnetic tunnel junction when 1ML of metal interlayer is added at the MgO/Fe interface, and compares it with the magnetic anisotropy energy density of the MgO/Fe_8ML/Pt magnetic tunnel junction, where Positive values indicate perpendicular magnetic anisotropy, and negative values indicate in-plane magnetic anisotropy. The larger the absolute value, the greater the magnetic anisotropy energy in the relevant direction. The data and symbols of the magnetic anisotropy energy in the following tables have the same meaning. It can be seen from Table 1 that the magnetic anisotropy energy obtained will vary greatly depending on the selected interlayer material: when 1ML Rh film is inserted, the induced atomic magnetic moment is the largest, and the perpendicular magnetic anisotropy of the magnetic tunnel junction The strongest; when 1ML Ir film is inserted, the easy magnetization axis of the magnetic tunnel junction changes from out-of-plane to in-plane, showing obvious in-plane magnetic anisotropy; when 1ML Ni or Pd film is inserted, the perpendicular magnetic anisotropy of the magnetic tunnel junction Compared with MgO/Fe_8ML/Pt, the anisotropy is improved; when 1ML Ag or Au is inserted, the magnetic anisotropy of the magnetic tunnel junction is greatly weakened. In this example, the Fe/Pt interface is consistent in all interface models, and the contribution to the magnetic anisotropy behavior is the same. Therefore, the above-mentioned difference in the magnetic anisotropy energy is mainly due to the different orbital coupling between atoms at the metal interlayer/Fe interface. caused.

表1选择不同金属材料做界面夹层得到的磁各向异性能密度Table 1 Magnetic anisotropy energy densities obtained by selecting different metal materials as interfacial interlayers

金属材料metallic material NoneNone RhRh NiNi AgAg MAE(mJ/m<sup>2</sup>)MAE(mJ/m<sup>2</sup>) 2.32252.3225 9.25669.2566 2.47092.4709 0.36980.3698 金属材料metallic material IrIr PdPd AuAu MAE(mJ/m<sup>2</sup>)MAE(mJ/m<sup>2</sup>) -9.1312-9.1312 5.21255.2125 0.68590.6859

图4是计算得到的MgO/Fe_8ML/Pt界面模型中MgO/Fe界面处Fe原子3d轨道的分波态密度和能带结构。由图4中的(a)可知,dx2-y2电子轨道在0eV处有着明显的DOS尖峰,dxz、dyz轨道也有着一定的分布。由图4中的(b)可知,dxz、dyz轨道在费米能级附近有着带状的能带交叠,而dx2-y2轨道和dxz、dyz轨道能带交叠的面积要小些。因此,MgO/Fe_8ML/Pt界面模型的磁各向异性是角动量矩阵单元<dxz|lz|dyz>、<dx2-y2|lx|dyz>和<dx2-y2|ly|dxz>共同作用的结果。其中,<dxz|lz|dyz>耦合项占据主导,使整个模型的磁各向异性能为正值;<dx2-y2|lx|dyz>和<dx2-y2|ly|dxz>耦合项的贡献较小,会导致模型的垂直磁各向异性减弱。Figure 4 shows the fractional density of states and energy band structures of Fe atomic 3d orbitals at the MgO/Fe interface in the calculated MgO/Fe_8ML/Pt interface model. It can be seen from (a) in Figure 4 that the dx 2 -y 2 electron orbital has an obvious DOS peak at 0 eV, and the dxz and dyz orbitals also have a certain distribution. It can be seen from (b) in Figure 4 that the dxz and dyz orbitals have band-like energy band overlaps near the Fermi level, while the overlapping area of the dx 2 -y 2 orbitals and dxz and dyz orbitals is smaller. . Therefore, the magnetic anisotropy of the MgO/Fe_8ML/Pt interface model is the angular momentum matrix elements <dxz|l z |dyz>, <dx 2 -y 2 |l x |dyz>, and <dx 2 -y 2 |l y |dxz>The result of joint action. Among them, the <dxz|l z |dyz> coupling term dominates, making the magnetic anisotropy of the whole model positive; <dx 2 -y 2 |l x |dyz> and <dx 2 -y 2 |l y The contribution of the |dxz> coupling term is small, which will lead to a weakening of the perpendicular magnetic anisotropy of the model.

图5是计算得到的MgO/Rh_1ML/Fe_8ML/Pt界面模型中Rh/Fe界面处Fe原子3d轨道的分波态密度和能带结构。由图5中的(a)可知,Rh/Fe界面处Fe原子的dxz、dyz轨道在0.35eV处存在一个相对明显的DOS尖峰,而其他轨道分量上DOS的分布要平缓些,电子占据态也少很多。进一步对图5中的(b)所示的少数自旋能带图进行分析可得,dxz和dyz轨道在X点和Γ点附近有能带交叠,<dxz|lz|dyz>耦合项的单独作用使得界面模型表现出强垂直磁各向异性。Figure 5 shows the fractional DOS and energy band structure of the Fe atom 3d orbital at the Rh/Fe interface in the calculated MgO/Rh_1ML/Fe_8ML/Pt interface model. It can be seen from (a) in Fig. 5 that the dxz and dyz orbitals of Fe atoms at the Rh/Fe interface have a relatively obvious DOS peak at 0.35 eV, while the distribution of DOS on other orbital components is gentler, and the electron occupied states are also a lot less. Further analysis of the minority spin band diagram shown in (b) in Fig. 5 shows that the dxz and dyz orbitals have energy band overlap near the X point and the Γ point, and the <dxz|l z |dyz> coupling term The independent action of , makes the interface model exhibit strong perpendicular magnetic anisotropy.

图6是计算得到的MgO/Ir_1ML/Fe_8ML/Pt界面模型中Ir/Fe界面处Fe原子3d轨道的分波态密度和能带结构。在Ir/Fe界面处,Fe原子的dx2-y2轨道和dxz、dyz轨道在费米能级处存在较强的DOS峰,只是dx2-y2和dyz轨道在X-Γ区域内有带状的能带交叠,而dxz轨道基本没有发生耦合,使得MgO/Ir/Fe/Pt界面模型的磁各向异性仅受到<dx2-y2|lx|dyz>耦合项的作用,表现为强烈的面内磁化。Figure 6 shows the fractional DOS and energy band structure of the Fe atom 3d orbital at the Ir/Fe interface in the calculated MgO/Ir_1ML/Fe_8ML/Pt interface model. At the Ir/Fe interface, the dx 2 -y 2 orbitals and dxz and dyz orbitals of Fe atoms have strong DOS peaks at the Fermi level, but the dx 2 -y 2 and dyz orbitals have strong DOS peaks in the X-Γ region. The band-like energy bands overlap, and the dxz orbitals are basically not coupled, so that the magnetic anisotropy of the MgO/Ir/Fe/Pt interface model is only affected by the <dx 2 -y 2 |l x |dyz> coupling term, Appears as strong in-plane magnetization.

在MgO/Fe界面插入1ML Ni(Pd)金属薄膜时,界面模型的磁各向异性是<dx2-y2|lz|dxy>和<d3z2-r2|lx|dyz>两个角动量矩阵单元共同作用的结果;在MgO/Fe界面插入1ML Ag(Au)金属薄膜时,界面模型的磁各向异性大幅减弱是由其价电子排布方式所决定的。When a 1ML Ni(Pd) metal film is inserted at the MgO/Fe interface, the magnetic anisotropy of the interface model is <dx 2 -y 2 |l z |dxy> and <d3z 2 -r 2 |l x |dyz> The result of the joint action of angular momentum matrix elements; when 1ML Ag(Au) metal film is inserted at the MgO/Fe interface, the magnetic anisotropy of the interface model is greatly weakened, which is determined by the arrangement of its valence electrons.

本实施例说明金属夹层的元素种类对MgO/Fe/Pt磁隧道结的磁各向异性有着极大地影响,选择Rh作为金属夹层可以明显增强器件的垂直磁各向异性;选择Ir作为金属夹层可以改变器件易磁化轴的方向,使得器件对外表现为面内磁各向异性;选择其他金属材料作为界面夹层也可以调节器件的磁各向异性。实际应用中,可以根据对磁隧道结磁各向异性的需求来选择金属夹层的材料种类。This example shows that the element type of the metal interlayer has a great influence on the magnetic anisotropy of the MgO/Fe/Pt magnetic tunnel junction. Choosing Rh as the metal interlayer can significantly enhance the perpendicular magnetic anisotropy of the device; choosing Ir as the metal interlayer can Changing the direction of the easy magnetization axis of the device makes the device exhibit in-plane magnetic anisotropy to the outside; choosing other metal materials as the interface interlayer can also adjust the magnetic anisotropy of the device. In practical applications, the material type of the metal interlayer can be selected according to the requirements for the magnetic anisotropy of the magnetic tunnel junction.

实施例2:Example 2:

本实施例通过第一性原理计算在MgO/Fe_8ML/Pt不同位置加入金属夹层时的磁学性质和电子结构,来得到金属夹层的作用位置对磁隧道结磁各向异性的影响。In this example, first-principles calculations are used to calculate the magnetic properties and electronic structures of metal interlayers at different positions of MgO/Fe_8ML/Pt, so as to obtain the influence of the action positions of the metal interlayers on the magnetic tunnel junction magnetic anisotropy.

选择1ML Rh薄膜做金属夹层插入MgO/Fe_8ML/Pt中,调整位置并建立模型:A.MgO/Rh_1ML/Fe_8ML/Pt,B.MgO/Fe_4ML/Rh_1ML/Fe_4ML/Pt,C.MgO/Fe_8ML/Rh_1ML/Pt,对其磁各向异性能密度进行计算,结果如表2所示。Select 1ML Rh film as metal interlayer and insert it into MgO/Fe_8ML/Pt, adjust the position and build the model: A.MgO/Rh_1ML/Fe_8ML/Pt, B.MgO/Fe_4ML/Rh_1ML/Fe_4ML/Pt, C.MgO/Fe_8ML/Rh_1ML /Pt, the magnetic anisotropy energy density was calculated, and the results are shown in Table 2.

表2在不同位置插入1ML Rh薄膜夹层得到的磁各向异性能密度Table 2 Magnetic anisotropy energy densities obtained by inserting 1ML Rh thin film interlayers at different positions

Rh薄膜位置Rh membrane location MgO/Fe界面MgO/Fe interface 铁磁层内部Inside the ferromagnetic layer Fe/Pt界面Fe/Pt interface MAE(mJ/m<sup>2</sup>)MAE(mJ/m<sup>2</sup>) 9.25669.2566 5.11005.1100 -5.6298-5.6298

图7是计算得到的三种界面模型的差分电荷密度。Figure 7 shows the calculated differential charge densities for the three interface models.

由图7中的(a)可知,当1ML Rh薄膜夹层位于MgO/Fe界面时,Rh/Fe界面处和Fe/Pt界面处都出现电子由金属原子向界面迁移的现象,且电荷转移量相当,对其磁各向异性进行分析需要同时考虑两个界面的作用。更具体地,在Rh/Fe界面处,Fe原子dxz、dyz轨道和Rh原子的dx2-y2轨道在0.33eV处存在轨道杂化;在Fe/Pt界面处,Fe原子dyz轨道和Pt原子的dx2-y2轨道在0.17eV处存在轨道杂化。Fe原子dxz、dyz轨道的作用使得界面模型A的易磁化轴偏向于面外,表现出强垂直磁各向异性。It can be seen from (a) in Figure 7 that when the 1ML Rh thin film interlayer is located at the MgO/Fe interface, electrons migrate from metal atoms to the interface at both the Rh/Fe interface and the Fe/Pt interface, and the amount of charge transfer is equivalent. , the analysis of its magnetic anisotropy needs to consider the role of both interfaces. More specifically, at the Rh/Fe interface, the dxz and dyz orbitals of Fe atoms and the dx 2 -y 2 orbitals of Rh atoms have orbital hybridization at 0.33 eV; at the Fe/Pt interface, the dyz orbitals of Fe atoms and Pt atoms The dx 2 -y 2 orbitals have orbital hybridization at 0.17 eV. The dxz and dyz orbitals of Fe atoms make the easy magnetization axis of the interface model A deviate from the plane, showing strong perpendicular magnetic anisotropy.

由图7中的(b)可知,当1ML Rh薄膜夹层位于铁磁层内部时,电子在Fe/Rh界面处的电荷累积效应要强于Fe/Pt界面,对磁各向异性的分析主要考虑Fe/Rh界面的作用。更具体地,Rh原子4d轨道上基本没有电子占据,临近的两个Fe原子层的dxy(dxz、dyz)轨道在-0.12eV(0.14eV)处同时出现DOS峰。界面模型B的垂直磁各向异性是<dx|lz|dyz>、<dxy|lx|dxz>以及<dxy|ly|dyz>耦合项共同作用的结果。It can be seen from (b) in Fig. 7 that when the 1ML Rh thin film interlayer is located inside the ferromagnetic layer, the charge accumulation effect of electrons at the Fe/Rh interface is stronger than that at the Fe/Pt interface. The analysis of magnetic anisotropy mainly considers Fe. The role of the /Rh interface. More specifically, the 4d orbital of Rh atom is basically not occupied by electrons, and the dxy (dxz, dyz) orbitals of the two adjacent Fe atomic layers simultaneously appear DOS peaks at -0.12eV (0.14eV). The perpendicular magnetic anisotropy of interface model B is the result of the combined action of <dx|l z |dyz>, <dxy|l x |dxz> and <dxy|l y |dyz> coupling terms.

由图7中的(c)可知,当1ML Rh薄膜夹层位于Fe/Pt界面时,不仅Fe/Rh界面和Rh/Pt界面处的电子发生重排布,MgO/Fei/Feii界面处也有明显的电荷转移发生,且电荷转移量更大,对其磁各向异性的分析着重考虑了MgO/Fei/Feii界面的作用。更具体地,O原子pz轨道、Fei原子dx2-y2轨道和Feii原子dxy轨道在0.47eV、0.59eV能级处存在共振DOS峰。由于dx2-y2轨道和dxy轨道都是位于面内的,界面模型C的易磁化轴偏向于面内,表现出面内磁各向异性。It can be seen from (c) in Fig. 7 that when the 1ML Rh thin film interlayer is located at the Fe/Pt interface, not only the electrons at the Fe/Rh interface and the Rh/Pt interface are rearranged, but also at the MgO/Fei/Feii interface. The charge transfer occurs, and the amount of charge transfer is larger, and the analysis of its magnetic anisotropy focuses on the role of the MgO/Fei/Feii interface. More specifically, the pz orbital of the O atom, the dx 2 -y 2 orbital of the Fei atom, and the dxy orbital of the Feii atom have resonance DOS peaks at the energy levels of 0.47 eV and 0.59 eV. Since both the dx 2 -y 2 orbitals and the dxy orbitals are located in the plane, the easy magnetization axis of the interface model C is biased towards the plane, showing the in-plane magnetic anisotropy.

本实施例说明Rh薄膜夹层的位置对MgO/Fe/Pt磁隧道结的磁各向异性也有一定影响,在MgO/Fe界面时可以增强器件的垂直磁各向异性;在Fe/Pt界面时可以改变器件易磁化轴的方向,使得器件对外表现为面内磁各向异性;在铁磁层内部时可以调整器件的垂直磁各向异性。根据实际应用中对磁隧道结磁各向异性的需求来选择Rh薄膜夹层的作用位置。This example shows that the position of the Rh thin film interlayer also has a certain influence on the magnetic anisotropy of the MgO/Fe/Pt magnetic tunnel junction. At the MgO/Fe interface, the perpendicular magnetic anisotropy of the device can be enhanced; at the Fe/Pt interface, it can be The direction of the easy magnetization axis of the device is changed, so that the device exhibits in-plane magnetic anisotropy to the outside; the perpendicular magnetic anisotropy of the device can be adjusted when it is inside the ferromagnetic layer. The action position of the Rh thin film interlayer is selected according to the requirement for the magnetic anisotropy of the magnetic tunnel junction in practical applications.

上述结论是以Rh薄膜夹层为例分析得到的,但不仅限于Rh薄膜夹层,还可以是Ir、Ni、Pd、Ag以及Au等其他材料。当然,不同材料夹层在不同位置对磁隧道结的磁各向异性调制结果会有差异,这需要根据器件应用需求具体分析。The above conclusions are obtained by taking the Rh thin film interlayer as an example, but it is not limited to the Rh thin film interlayer, but can also be other materials such as Ir, Ni, Pd, Ag, and Au. Of course, the results of the magnetic anisotropy modulation of the magnetic tunnel junction at different positions of the interlayer of different materials will be different, which needs to be analyzed according to the application requirements of the device.

实施例3:Example 3:

本实施例选择在MgO/Fe_8L/Pt模型的MgO/Fe界面处加入1~3ML Rh薄膜夹层,对其磁各向异性能和电子结构进行第一性原理计算,来得到Rh薄膜夹层的厚度对磁隧道结磁各向异性的影响。In this example, a 1-3ML Rh thin film interlayer was added at the MgO/Fe interface of the MgO/Fe_8L/Pt model, and first-principles calculations were performed on its magnetic anisotropy and electronic structure to obtain the thickness of the Rh thin film interlayer. The effect of magnetic anisotropy in the magnetic tunnel junction.

表3是计算得到的不同Rh薄膜厚度下的磁各向异性能密度。结果表明,当Rh薄膜的厚度在一定范围以内时,界面模型的磁各向异性能都为正值,且其垂直磁各向异性要强于不含Rh夹层的MgO/Fe_8L/Pt模型。优选的,加入2ML Rh薄膜夹层时,磁各向异性能高达9.9921mJ/m2Table 3 shows the calculated magnetic anisotropy energy densities under different Rh film thicknesses. The results show that when the thickness of the Rh film is within a certain range, the magnetic anisotropy energy of the interface model is positive, and its perpendicular magnetic anisotropy is stronger than that of the MgO/Fe_8L/Pt model without Rh interlayer. Preferably, when 2ML Rh thin film interlayer is added, the magnetic anisotropy can be as high as 9.9921 mJ/m 2 .

表3不同Rh薄膜厚度下的磁各向异性能密度Table 3 Magnetic anisotropy energy density under different Rh film thickness

Rh夹层厚度Rh interlayer thickness 1ML1ML 2ML2ML 3ML3ML MAE(mJ/m<sup>2</sup>)MAE(mJ/m<sup>2</sup>) 9.25669.2566 9.99219.9921 8.83008.8300

本实施例证实了Rh薄膜夹层的厚度在一定范围以内时都可以增强磁隧道结的垂直磁各向异性。This example confirms that the perpendicular magnetic anisotropy of the magnetic tunnel junction can be enhanced when the thickness of the Rh thin film interlayer is within a certain range.

上述结论是以MgO/Fe界面插入Rh薄膜夹层为例分析得到的,但金属夹层的作用位置不仅限于MgO/Fe界面,还可以是铁磁层内部和Fe/Pt界面;金属夹层的材料也不仅限于Rh,还可以是Ir、Ni、Pd、Ag以及Au等其他材料。同样,不同厚度的其他材料夹层对磁隧道结的磁各向异性调制结果会有差异,这需要根据器件应用需求具体分析。The above conclusions are obtained by taking the MgO/Fe interface inserted into the Rh thin film interlayer as an example, but the role of the metal interlayer is not limited to the MgO/Fe interface, but also the interior of the ferromagnetic layer and the Fe/Pt interface; the material of the metal interlayer is not only limited to the MgO/Fe interface. It is limited to Rh, but can also be other materials such as Ir, Ni, Pd, Ag, and Au. Similarly, the magnetic anisotropy modulation results of the magnetic tunnel junction will be different for other material interlayers with different thicknesses, which need to be analyzed according to the application requirements of the device.

从上述三个实施例可见,金属夹层的材料种类、作用位置及厚度都对磁隧道结的磁各向异性有调制作用,可以根据器件的应用需求不同来对这三个因素进行筛选和优化,以达到获得理想器件性能的目的。It can be seen from the above three embodiments that the material type, action position and thickness of the metal interlayer have a modulating effect on the magnetic anisotropy of the magnetic tunnel junction. These three factors can be screened and optimized according to the application requirements of the device. in order to achieve the desired device performance.

实施例4:Example 4:

为研究电场对磁隧道结磁各向异性的影响,本实施例选择MgO/Fe/Pt为例,设置0~5V/nm的梯度电场,对不同电场作用下的磁各向异性能进行了简单的计算。In order to study the effect of electric field on the magnetic anisotropy of the magnetic tunnel junction, MgO/Fe/Pt is selected as an example in this example, a gradient electric field of 0-5 V/nm is set, and the magnetic anisotropy under the action of different electric fields is simplified. calculation.

图8是计算得到的磁各向异性能随电场的变化趋势。这里使用磁各向异性能的相对变化量来表征电场诱导的磁电效应:Fig. 8 is the variation trend of the calculated magnetic anisotropy energy with the electric field. The relative change in magnetic anisotropy energy is used here to characterize the electric field-induced magnetoelectric effect:

ΔMAE=MAE(E)-MAE(0)ΔMAE=MAE(E)-MAE(0)

其中,MAE(E)是电场E作用下的磁各向异性能,MAE(0)则是零电场下的磁各向异性能。显然,磁各向异性能随着外电场的增大以一种准线性的趋势增大,且这种趋势与铁磁层厚度无关。也就是说,在电场作用下,MgO/Fe/Pt的易磁化轴会向面外方向偏转,其垂直磁各向异性增强。Among them, MAE(E) is the magnetic anisotropy energy under the action of the electric field E, and MAE(0) is the magnetic anisotropy energy under the zero electric field. Obviously, the magnetic anisotropy energy increases in a quasi-linear trend with the increase of the external electric field, and this trend is independent of the thickness of the ferromagnetic layer. That is to say, under the action of the electric field, the easy magnetization axis of MgO/Fe/Pt will be deflected to the out-of-plane direction, and its perpendicular magnetic anisotropy will be enhanced.

本实施例证实了外电场的作用可以使得磁隧道结的磁各向异性线性增强。This example confirms that the effect of the external electric field can linearly enhance the magnetic anisotropy of the magnetic tunnel junction.

上述结论是以MgO/Fe/Pt界面模型为例计算得到的,但不仅限于此界面模型,插入金属薄膜夹层后的MgO/Fe/Pt界面模型也有类似的结论,且对磁各向异性的调整会更精确,调整幅度也更大。因此,可同时使用外加电场和金属夹层,从而达到更精确、更大范围调整磁隧道结磁各向异性的目的。The above conclusions are calculated based on the MgO/Fe/Pt interface model as an example, but it is not limited to this interface model. The MgO/Fe/Pt interface model after inserting the metal film interlayer also has similar conclusions, and the adjustment of the magnetic anisotropy It will be more precise and the adjustment range will be larger. Therefore, the external electric field and the metal interlayer can be used at the same time, so as to achieve the purpose of adjusting the magnetic anisotropy of the magnetic tunnel junction more precisely and in a wider range.

本发明未详细说明之处,均可参考相关现有技术,如建模、第一性原理计算等均可直接参考现有技术进行。For the parts not described in detail in the present invention, reference can be made to the related prior art, such as modeling and first-principles calculation, etc., can be directly performed with reference to the prior art.

本领域的技术人员容易理解,以上所述仅为本发明的较佳实施例而已,并不用以限制本发明,凡在本发明的精神和原则之内所作的任何修改、等同替换和改进等,均应包含在本发明的保护范围之内。Those skilled in the art can easily understand that the above are only preferred embodiments of the present invention, and are not intended to limit the present invention. Any modifications, equivalent replacements and improvements made within the spirit and principles of the present invention, etc., All should be included within the protection scope of the present invention.

Claims (7)

1. A method for adjusting magnetic anisotropy of a magnetic tunnel junction is characterized in that a metal interlayer is inserted into a film layer structure of the magnetic tunnel junction to control contribution of electron orbit coupling effect, so that adjustment of the magnetic anisotropy of the magnetic tunnel junction is realized; the initial film structure of the magnetic tunnel junction sequentially comprises a barrier layer, a ferromagnetic layer and a nonmagnetic metal covering layer;
the metal elements adopted by the metal interlayer are selected from VIII group transition metal elements, Ag and Au;
the interposed metal interlayer is located at the ferromagnetic layer/nonmagnetic metal overlayer interface.
2. The method of adjusting magnetic anisotropy of a magnetic tunnel junction of claim 1, where the adjusting of magnetic anisotropy of a magnetic tunnel junction specifically comprises: and adjusting the magnetic moment, the magnetic anisotropy energy or the magnetoelectric coefficient of the atom.
3. The method for adjusting magnetic anisotropy of a magnetic tunnel junction according to claim 1, where the group viii transition metal element is selected from Rh, Ir, Ni and Pd.
4. The method of adjusting magnetic anisotropy of a magnetic tunnel junction according to claim 1, wherein the thickness of the metal interlayer is no more than 10 atomic layers.
5. The method for adjusting the magnetic anisotropy of a magnetic tunnel junction according to claim 1, wherein the method additionally introduces an external electric field as an aid while inserting the metal interlayer into the film structure of the magnetic tunnel junction, and the external electric field can adjust the occupation of electron orbitals at the fermi level, thereby assisting in adjusting the magnetic anisotropy of the magnetic tunnel junction.
6. The method of adjusting magnetic anisotropy of a magnetic tunnel junction according to claim 1, wherein the initial film structure of the magnetic tunnel junction comprises a MgO layer, a Fe atomic layer and a Pt atomic layer in this order, wherein the MgO layer has a thickness of 4 atomic layers, the Fe atomic layer has a thickness of 8 atomic layers, and the Pt atomic layer has a thickness of 3 atomic layers.
7. A magnetic anisotropy adjusted magnetic tunnel junction obtained by the method according to any of claims 1-6.
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