Electronic Structure and Ferromagnetic Properties of MgDoped Cubic BN from First-Principles Calculation

被引：0
|
作者：
Huiyu Yan
Yanrui Guo
Qinggong Song
Yifei Chen
Songqing Guo
机构：
[1] Civil Aviation University of China,College of Science
来源：
Journal of Superconductivity and Novel Magnetism | 2015年 / 28卷
关键词：
Mg-doped BN; Electronic structure; Ferromagnetic semiconductor; First-principles;
D O I：
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中图分类号：
学科分类号：
摘要：
The electronic properties and ferromagnetic coupling interactions of Mg-doped cubic boron nitride (BN) have been investigated by using first-principles calculation method. The calculated results show that Mg-doped BN takes ferromagnetic ground state with magnetic moment of 0.565 μB which mainly comes from the unpaired 2p electron of N atoms around the Mg dopant. The magnetic coupling between Mg dopants induced moments is long-ranged. It also was found that the Mg-doped BN system has high spin polarization near the Fermi level.
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页码：2425 / 2430
页数：5
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