Fermi-level effects on the electronic structure and magnetic couplings in (Ga,Mn)N

P. Boguslawski; J. Bernholc

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Fermi-level effects on the electronic structure and magnetic couplings in (Ga,Mn)N

机译：费米能级对（Ga，Mn）N中电子结构和磁耦合的影响

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Electronic structure of Mn ions and the magnetic Mn-Mn coupling in (Ga,Mn)N are investigated within density functional theory. The properties of (Ga,Mn)N are found to critically depend on the position of the Fermi level, which alters the charge state of Mn ions and induces substantial lattice relaxation. The exchange splittings of Mn d levels decrease threefold with the decreasing Fermi level, with the magnetic couplings being similarly affected. The results are in excellent agreement with experiment for low Mn concentration and highlight the role of inhomogeneities at the high concentration limit.

机译：在密度泛函理论的基础上研究了Mn离子的电子结构和（Ga，Mn）N中的Mn-Mn磁性耦合。发现（Ga，Mn）N的性质关键取决于费米能级的位置，这会改变Mn离子的电荷状态并引起大量晶格弛豫。 Mn d能级的交换分裂随费米能级的降低而减少三倍，而磁耦合也受到类似的影响。结果与低锰浓度的实验非常吻合，并突出了高浓度极限下不均匀性的作用。

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《Physical review. B, Condensed Matter And Materials Physics》 |2005年第11期|p.115208.1-115208.5|共5页
作者
P. Boguslawski; J. Bernholc;
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作者单位

Institute of Physic PAS, 02668 Warszawa, Poland;

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正文语种 eng
中图分类固体物理学;
关键词
magnetic semiconductors; magnetic impurity interactions; density functional theory; local density approximation; gradient and other corrections;

机译：磁性半导体磁性杂质相互作用密度泛函理论局部密度近似;渐变和其他校正;

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Fermi-level effects on the electronic structure and magnetic couplings in (Ga,Mn)N

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