Energetic stability, electronic structure, and magnetism in Mn-doped silicon dilute magnetic semiconductors

被引：28

作者：

Liu, Qinghua ^{[1
]}

Yan, Wensheng ^{[1
]}

Wei, He ^{[1
]}

Sun, Zhihu ^{[1
]}

Pan, Zhiyun ^{[1
]}

Soldatov, A. V. ^{[2
]}

Mai, Cong ^{[1
]}

Pei, Congjian ^{[1
]}

Zhang, Xinfeng ^{[1
]}

Jiang, Yong ^{[1
]}

Wei, Shiqiang ^{[1
]}

机构：

[1] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China

[2] So Fed Univ, Ctr Nanoscale Struct Matter, Rostov Na Donu 344090, Russia

来源：

PHYSICAL REVIEW B | 2008年 / 77卷 / 24期

关键词：

D O I：

10.1103/PhysRevB.77.245211

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

First-principles study on the energetic stability, electronic structure, and magnetic coupling in Mn-doped silicon with various configurations has been performed systematically. The results show that the poly-Mn atoms prefer to aggregate in the Mn-doped silicon dilute magnetic semiconductor. It is found that the tetrahedral interstitial Mn (Mn-T) atoms assemble together via an intervening substitutional Mn (Mn-Si) ion, subsequently forming the generally favored Mn-T-Mn-Si-Mn-T-type complexes. The dominant d-d exchange interactions between the Mn-Si and Mn-T make all Mn ions in the Mn-T-Mn-Si-Mn-T structures interact ferromagnetically with each other.

引用

页数：7

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