Substantial stabilization of ferromagnetism in ZnO:Mn induced by N codoping

被引：15

作者：

Assadi, M. H. N. ^{[1
]}

Zhang, Y. B. ^{[1
]}

Li, S. ^{[1
]}

机构：

[1] Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2009年 / 21卷 / 18期

基金：

澳大利亚研究理事会;

关键词：

MN-DOPED ZNO; MAGNETIC SEMICONDUCTORS; TEMPERATURE; EXCHANGE; ORIGIN;

D O I：

10.1088/0953-8984/21/18/185503

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Electronic structures and magnetic properties of ZnO:Mn and ZnO:Mn + N systems are investigated using first-principles density functional calculations with generalized gradient approximation. The results provide a fundamental theoretical understanding in the substantial ferromagnetic stability induced by N codoping in the ZnO: Mn system observed experimentally. They demonstrate that the ferromagnetic interaction is due to the hybridization between N 2p and Mn 3d states and is very sensitive to the geometrical configurations of dopants in the ZnO host lattice. The most stable ferromagnetic configuration corresponds to the Mn-N-Mn cluster, energetically strong enough to lead to hole-mediated ferromagnetism at room temperature.

引用

页数：4

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