Magnetic properties of 3d impurities substituted in GaAs

被引:19
作者
Mirbt, S
Sanyal, B
Mohn, P
机构
[1] Uppsala Univ, Dept Phys, Uppsala, Sweden
[2] Vienna Univ Technol, CMS, A-1060 Vienna, Austria
关键词
D O I
10.1088/0953-8984/14/12/316
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We have calculated the magnetic properties of substituted 3d impurities (Cr-Ni) in a GaAs host by means of first-principles electronic structure calculations. We provide a novel model explaining the ferromagnetic long-range order of III-V dilute magnetic semiconductors. The origin of the ferromagnetism is shown to be delocalized spin-uncompensated As dangling-bond electrons. Besides the quantitative prediction of the magnetic moments, our model provides an understanding of the half-metallicity, and the rise of the critical temperature with the impurity concentration.
引用
收藏
页码:3295 / 3302
页数:8
相关论文
共 21 条
[1]   Ferromagnetism and its stability in the diluted magnetic semiconductor (In,Mn)As [J].
Akai, H .
PHYSICAL REVIEW LETTERS, 1998, 81 (14) :3002-3005
[2]   SELF-CONSISTENT CALCULATIONS OF THE ELECTRONIC-STRUCTURE FOR IDEAL GA AND AS VACANCIES IN GAAS [J].
BACHELET, GB ;
BARAFF, GA ;
SCHLUTER, M .
PHYSICAL REVIEW B, 1981, 24 (02) :915-925
[3]  
Ballhausen C. J., 1962, INTRO LIGAND FIELD T
[4]   THEORETICAL EVIDENCE FOR LOW-SPIN GROUND-STATES OF EARLY INTERSTITIAL AND LATE SUBSTITUTIONAL 3D TRANSITION-METAL IONS IN SILICON [J].
BEELER, F ;
ANDERSEN, OK ;
SCHEFFLER, M .
PHYSICAL REVIEW LETTERS, 1985, 55 (14) :1498-1501
[5]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[6]   COLOUR CENTRES IN IRRADIATED DIAMONDS .1. [J].
COULSON, CA ;
KEARSLEY, MJ .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1957, 241 (1227) :433-454
[7]   Zener model description of ferromagnetism in zinc-blende magnetic semiconductors [J].
Dietl, T ;
Ohno, H ;
Matsukura, F ;
Cibert, J ;
Ferrand, D .
SCIENCE, 2000, 287 (5455) :1019-1022
[8]   (Ga,Mn)As as a digital ferromagnetic heterostructure [J].
Kawakami, RK ;
Johnston-Halperin, E ;
Chen, LF ;
Hanson, M ;
Guébels, N ;
Speck, JS ;
Gossard, AC ;
Awschalom, AA .
APPLIED PHYSICS LETTERS, 2000, 77 (15) :2379-2381
[9]   Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186
[10]   ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].
KRESSE, G ;
HAFNER, J .
PHYSICAL REVIEW B, 1993, 47 (01) :558-561