Properties of wurtzite w-MnN and of w-MnN inclusions in (Ga,Mn)N

被引：5

作者：

Boguslawski, P ^{[1
]}

Bernholc, J

机构：

[1] N Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA

[2] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA

[3] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland

来源：

APPLIED PHYSICS LETTERS | 2006年 / 88卷 / 09期

关键词：

D O I：

10.1063/1.2180874

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Mn ions in (Ga,Mn)N exhibit a tendency to form pairs, which is enhanced by ferromagnetic Mn-Mn coupling. We also find that segregation of Mn to form MnN clusters in the wurtzite structure of host GaN is energetically favorable. However, our first-principles calculations show that both w-MnN inclusions stretched to fit the lattice constant of GaN, and relaxed ones with the equilibrium lattice constant of MnN are antiferromagnetic, and thus they are not responsible for the high temperature ferromagnetism reported for (Ga,Mn)N. Incorporation of Mn on the N sites is prohibited by the high formation energy of Mn-N.

引用

页数：3

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