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物理学报. 2008, 57(10): 6513-6519.
doi: 10.7498/aps.57.6513.
Mn掺杂GaN电子结构和光学性质研究
- 收稿日期: 2008-01-11
- 修回日期: 2008-03-11
- 刊出日期: 2008-10-20
English Abstract
Electronic structure and optical properties of GaN with Mn-doping
- Received Date:
11 January 2008
- Accepted Date:
11 March 2008
- Published Online:
20 October 2008
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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Keywords:
- Ga1-xMnxN /
- first-principles /
- electronic structure /
- optical properties
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