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题名: First principle study of Mg, Si and Mn co-doped GaN
作者: Xing HY;  Fan GH;  Zhang Y;  Zhao DG
发表日期: 2009
摘要: Calculations of electronic structures and optical properties of Mg (or Si) and Mn co-doped GaN were carried out by means of first-principle plane-wave pesudopotential (PWP) based on density functional theory - The spin polarized impurity bands of deep energy levels were found for both systems. They are half metallic and suitable for spin injectors. Compared with GaN Mn, GaN Mn-Mg exhibits a significant increase in T-C 1 while the 1.3 eV absorption peak in GaN Mn disappears due to addition of Mg. In addition, a strong absorption peak due to T-4(1) (F) -> T-4(2) (F) transition of Mn4+ were observed near 1.1 eV. Nevertheless, GaN Mn-Si failed to show increase of T-C, and the absorption peak was not observed at the low energy side.
KOS主题词: Electronic structure;  Technetium;  Optical properties
刊名: ACTA PHYSICA SINICA
专题: 中国科学院半导体研究所(2009年前)_期刊论文

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Xing HY ; Fan GH ; Zhang Y ; Zhao DG .First principle study of Mg, Si and Mn co-doped GaN ,ACTA PHYSICA SINICA,2009 ,58(1):450-458
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