Half-metallic ferromagnetism of MnBi in zincblende phase

被引：51
作者：
Xu, YQ
Liu, BG
Pettifor, DG
机构：
[1] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China
[2] Chinese Acad Sci, Ctr Condensed Matter Phys, Beijing 100080, Peoples R China
[3] Univ Oxford, Dept Mat, Oxford OX1 3PH, England
来源：
PHYSICA B-CONDENSED MATTER | 2003年 / 329卷
关键词：
half-metallic ferromagnetism; the zincblende MnBi; DFT;
D O I：
10.1016/S0921-4526(02)02464-X
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The full-potential augmented plane wave plus local orbitals method within density-functional theory is used to predict that MnBi in the zincblende phase is a true half-metallic ferromagnet with a magnetic moment of 4.000mu(B) per formula. This phase of MnBi is found to be robust against volume changes from -12% to +30% and remains qualitatively the same under various exchange-correlation approximations. (C) 2003 Elsevier Science B.V. All rights reserved.
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收藏
页码：1117 / 1118
页数：2
相关论文
共 16 条
[1]   Electron spin and optical coherence in semiconductors [J].
Awschalom, DD ;
Kikkawa, JM .
PHYSICS TODAY, 1999, 52 (06) :33-38
[2]   FULL-POTENTIAL, LINEARIZED AUGMENTED PLANE-WAVE PROGRAMS FOR CRYSTALLINE SYSTEMS [J].
BLAHA, P ;
SCHWARZ, K ;
SORANTIN, P ;
TRICKEY, SB .
COMPUTER PHYSICS COMMUNICATIONS, 1990, 59 (02) :399-415
[3]   Coordination and chemical effects on the structural, electronic, and magnetic properties in Mn pnictides [J].
Continenza, A ;
Picozzi, S ;
Geng, WT ;
Freeman, AJ .
PHYSICAL REVIEW B, 2001, 64 (08) :852041-852047
[4]   NEW CLASS OF MATERIALS - HALF-METALLIC FERROMAGNETS [J].
DEGROOT, RA ;
MUELLER, FM ;
VANENGEN, PG ;
BUSCHOW, KHJ .
PHYSICAL REVIEW LETTERS, 1983, 50 (25) :2024-2027
[5]   Molecular beam epitaxy growth of ferromagnetic single crystal (001) Ni2MnGa on (001) GaAs [J].
Dong, JW ;
Chen, LC ;
Palmstrom, CJ ;
James, RD ;
McKernan, S .
APPLIED PHYSICS LETTERS, 1999, 75 (10) :1443-1445
[6]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[7]   Electrical spin injection and accumulation at room temperature in an all-metal mesoscopic spin valve [J].
Jedema, FJ ;
Filip, AT ;
van Wees, BJ .
NATURE, 2001, 410 (6826) :345-348
[8]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[9]   The attraction of magnetism [J].
Osborne, IS .
SCIENCE, 2001, 294 (5546) :1483-1483
[10]  
Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865
12