Ab initio calculation of Co2MnSi/semiconductor (SC, = GaAs, Ge) heterostructures

被引：15

作者：

Chen, Li-Yong ^{[1
]}

Wang, Su-Fang ^{[1
]}

Zhang, Yan ^{[1
]}

Zhang, Jian-Min ^{[1
]}

Xu, Ke-Wei ^{[2
]}

机构：

[1] Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710062, Peoples R China

[2] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China

来源：

THIN SOLID FILMS | 2011年 / 519卷 / 13期

基金：

中国国家自然科学基金;

关键词：

Heterostructure; Interface; Spin polarization; Half-metallic; Anti-site defect; MAGNETIC TUNNEL-JUNCTIONS; GENERALIZED-GRADIENT-APPROXIMATION; HALF-METALLIC FERROMAGNETS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; HEUSLER ALLOYS; 1ST-PRINCIPLES CALCULATIONS; MOLECULAR-DYNAMICS; SPIN-POLARIZATION; BASIS-SET;

D O I：

10.1016/j.tsf.2011.03.005

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Within density function theory under the generalized gradient approximation, for ideal Co2MnSi/GaAs (001) and (110) multilayer structures, the CoSi-AsGa interfaces are found to be half-metallic. While the most stable (110) CoSi-GeGe interface, for the ideal Co2MnSi/Ge multilayer systems, is near half-metallic. Given the atomic disorder in the Co2MnSi/GaAs (001) ((110)) multilayer systems with the CoSi-AsGa interface, Co anti-site defect is more readily presented at the (001) ((110)) interface. These results show that the low tunneling magnetoresistance ratio or spin injection measured in Co2MnSi/GaAs (001) (or (110)) tunnel junction in some experiments may be relevant to the interfaced Co anti-site defect as well as interfacial structure. (c) 2011 Elsevier B.V. All rights reserved.

引用

页码：4400 / 4408

页数：9

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