First principles study of electronic and magnetic properties of Co2MnGe/GaAs interfaces

被引:42
作者
Picozzi, S [1 ]
Continenza, A
Freeman, AJ
机构
[1] Univ Aquila, INFM, I-67010 Coppito, Italy
[2] Univ Aquila, Dept Phys, I-67010 Coppito, Italy
[3] Northwestern Univ, Mat Res Ctr, Dept Phys & Astron, Evanston, IL 60208 USA
关键词
semiconductors; ab initio calculations; magnetic properties;
D O I
10.1016/S0022-3697(03)00121-5
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Ab initio calculations within density functional theory have been performed for the Co2MnGe/GaAs junctions, focusing on the effect of the interface geometry on the relevant electronic and magnetic properties. Our calculations show that half-metallicity, present in bulk Co2MnGe, is lost when the Heusler compound is deposited on the semiconducting substrate, emphasizing the importance of interface effects in the design and efficiency of spin-injection processes. Our calculated local magnetic moments on the interface atoms show that the magnetic properties are not strongly affected by the presence of the interface, except for the Co-terminated case, where the Co atoms on the bridge site show a tendency towards magnetism quenching, similar to the Fe/GaAs junction. (C) 2003 Elsevier Ltd. All rights reserved.
引用
收藏
页码:1697 / 1701
页数:5
相关论文
共 12 条
[1]   Magnetic properties of single crystal Co2MnGe Heusler alloy films [J].
Ambrose, T ;
Krebs, JJ ;
Prinz, GA .
JOURNAL OF APPLIED PHYSICS, 2000, 87 (09) :5463-5465
[2]   Towards 100% spin-polarized charge-injection: The half-metallic NiMnSb/CdS interface [J].
de Wijs, GA ;
de Groot, RA .
PHYSICAL REVIEW B, 2001, 64 (02)
[3]   NEW CLASS OF MATERIALS - HALF-METALLIC FERROMAGNETS [J].
DEGROOT, RA ;
MUELLER, FM ;
VANENGEN, PG ;
BUSCHOW, KHJ .
PHYSICAL REVIEW LETTERS, 1983, 50 (25) :2024-2027
[4]   First-principles study of nucleation, growth, and interface structure of Fe/GaAs [J].
Erwin, SC ;
Lee, SH ;
Scheffler, M .
PHYSICAL REVIEW B, 2002, 65 (20) :2054221-20542210
[5]   TOTAL-ENERGY FULL-POTENTIAL LINEARIZED AUGMENTED-PLANE-WAVE METHOD FOR BULK SOLIDS - ELECTRONIC AND STRUCTURAL-PROPERTIES OF TUNGSTEN [J].
JANSEN, HJF ;
FREEMAN, AJ .
PHYSICAL REVIEW B, 1984, 30 (02) :561-569
[6]  
LANDOLTBORNSTEI, 1986, NEW SERIES GROUP 3, V22
[7]   SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS [J].
CHADI, DJ .
PHYSICAL REVIEW B, 1977, 16 (04) :1746-1747
[8]   Making nonmagnetic semiconductors ferromagnetic [J].
Ohno, H .
SCIENCE, 1998, 281 (5379) :951-956
[9]  
Picozzi S, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.094421
[10]   Device physics - Magnetoelectronics [J].
Prinz, GA .
SCIENCE, 1998, 282 (5394) :1660-1663