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Electronic structure and optical properties of GaN with Mn-doping

Xing Hai-Ying Fan Guang-Han He Miao Zhang Yong Zhou Tian-Ming Zhao De-Gang

Electronic structure and optical properties of GaN with Mn-doping

Xing Hai-Ying, Fan Guang-Han, He Miao, Zhang Yong, Zhou Tian-Ming, Zhao De-Gang
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  • Received Date:  11 January 2008
  • Accepted Date:  11 March 2008
  • Published Online:  20 October 2008

Electronic structure and optical properties of GaN with Mn-doping

  • 1. (1)华南师范大学光电子材料与技术研究所,广州 510631; (2)中国科学院半导体研究所集成光电子学国家重点联合实验室,北京 100083

Abstract: Calculations of the electronic structure and the density of states of GaN with Mn are carried out by means of first-principles plane-wave pesudopotential method based on density functional theory. The results reveal a 100% spin polarized impurity band in band structure of Ga1-xMnxN due to hybridization of Mn 3d and N 2p orbitals. The material is half metallic and suited for spin injectors. In addition, a peak of refractive index can be observed near the energy gap. The absorption coefficient increases in the UV region with the increase of the Mn content.

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