Local electronic structure and magnetic properties of 3d transition metal doped GaAs

被引：0
作者：
He Lin
HaiMing Duan
机构：
[1] Xinjiang University,Department of Chemistry, Institute of Applied Chemistry
[2] Xinjiang University,Department of Physics
来源：
Science in China Series G: Physics, Mechanics and Astronomy | 2008年 / 51卷
关键词：
diluted magnetic semiconductor; density functional theory; 3d transition metal; cluster model; electronic structure;
D O I：
暂无
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学科分类号：
摘要：
The local electronic structure and magnetic properties of GaAs doped with 3d transition metal (Sc, Ti, V, Cr, Mn, Fe, Co, Ni) were studied by using discrete variational method (DVM) based on density functional theory. The calculated result indicated that the magnetic moment of transition metal increases first and then decreases, and reaches the maximum value when Mn is doped into GaAs. In the case of Mn concentration of 1.4%, the magnetic moment of Mn is in good agreement with the experimental result. The coupling between impure atoms in the system with two impure atoms was found to have obvious variation. For different transition metal, the coupling between the impure atom and the nearest neighbor As also has different variation.
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页码：470 / 480
页数：10
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