Ferromagnetism in ZnO with (Mn, Li) codoping

被引：8

作者：

Ma Shi-Jia ^{[1
]}

Lu Peng-Fei ^{[1
]}

Yu Zhong-Yuan ^{[1
]}

Zhao Long ^{[1
]}

Li Qiong-Yao ^{[1
]}

Wu Cheng-Jie ^{[1
]}

Ding Lu ^{[1
]}

机构：

[1] Beijing Univ Posts & Telecommun, State Key Lab Informat Photon & Opt Commun, Beijing 100876, Peoples R China

来源：

CHINESE PHYSICS B | 2013年 / 22卷 / 03期

基金：

中国国家自然科学基金;

关键词：

density functional theory; ferromagnetism; Curie temperature; DILUTED MAGNETIC SEMICONDUCTORS; CARRIER-INDUCED FERROMAGNETISM; ROOM-TEMPERATURE; DOPED ZNO; THIN-FILMS; CO;

D O I：

10.1088/1674-1056/22/3/037102

中图分类号：

O4 [物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

First-principles calculations were performed to investigate the magnetic properties of Zn(Mn, Li)O based on the Perdew-Burke-Ernzerhof form of the generalized gradient approximation. Antiferromagnetic (AFM) ordering is the ground state in Mn-doped ZnO system without the codopant of Li, while seven different geometrical configurations of Zn(Mn, Li) O prefer stable ferromagnetic (FM) ordering. We found that dopant Li can effectively change the magnetic coupling in the ZnMnO system. The Curie temperature (T-C) of FM ordering depends on the geometric configuration, and the highest T-C is about 1388 K. The FM stabilization is greatly affected by Mn-Mn distance rather than by the position of dopant Li. We propose that dopant Li mediates FM coupling through a double exchange interaction or an RKKY interaction when Li is located, respectively, near or far from Mn ions.

引用

页数：5

共 28 条

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