First-principles study on nonlocal ferromagnetism in (Cu, N)-codoped ZnO

被引：0

作者：

秦国平 ^{[1
,2
]}

王新强 ^{[1
]}

郑继 ^{[1
]}

孔春阳 ^{[2
]}

阮海波 ^{[1
]}

李万俊 ^{[1
]}

赵永红 ^{[2
]}

孟祥丹 ^{[2
]}

机构：

[1] College of Physics,Chongqing University

[2] Key Laboratory of Optoelectronic Functional Materials,Chongqing Normal University

来源：

ChinesePhysicsB | 2013年 / 22卷 / 05期

基金：

中国国家自然科学基金;

关键词：

nonmagnetic impurity; hybridization; ferromagnetism; first-principles study;

D O I：

暂无

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

First-principles calculations based on spin density functional theory are performed to study the spin-resolved electronic properties of ZnO codoped with Cu and N. (Cu, N)-codoped ZnO exhibits magnetism, and the total magnetic moment mainly originates from the p-d hybridization of Cu-N and Cu-O as well as p-p coupling interaction between N and O at the Fermi level. The Zn34Cu2O35N1 favors energetically a ferromagnetic ground state due to the existence of stable Cu-N-Cu complex. These results imply that the (Cu, N)-codoped ZnO is a promising dilute magnetic semiconductor free of magnetic precipitates, which could broaden the horizon of currently known magnetic systems.

引用

页码：429 / 432

页数：4

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