Magnetic state around cation vacancies in II-VI semiconductors

被引：97

作者：

Chanier, T. ^{[1
]}

Opahle, I. ^{[2
]}

Sargolzaei, M. ^{[2
,3
]}

Hayn, R. ^{[1
]}

Lannoo, M. ^{[1
]}

机构：

[1] Univ Aix Marseille 1, CNRS, UMR 6137, Lab Mat & Microelect Provence Associe, F-13331 Marseille 3, France

[2] IFW Dresden, D-01171 Dresden, Germany

[3] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA

来源：

PHYSICAL REVIEW LETTERS | 2008年 / 100卷 / 02期

关键词：

D O I：

10.1103/PhysRevLett.100.026405

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The magnetic properties of neutral cation vacancies in II-VI semiconductors are examined using first principles calculations and group theory. A molecular cluster model of a single vacancy in II-VI semiconductors is developed to explain the observed chemical trend. We show that a single Zn vacancy in ZnO yields a total spin S-T=1 in agreement with experiments. But for the other less ionic Zn-based II-VI semiconductors ZnA (A=S, Se, Te) this spin triplet state is nearly degenerate with a nonmagnetic spin singlet state.

引用

页数：4

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