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Structural characteristics and electronic properties of GaN with $N_V,;O_N,;and;N_V-O_N$: first-principles calculations
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  • Structural characteristics and electronic properties of GaN with $N_V,;O_N,;and;N_V-O_N$: first-principles calculations
  • Structural characteristics and electronic properties of GaN with $N_V,;O_N,;and;N_V-O_N$: first-principles calculations
저자명
Lee. Sung-Ho,Chung. Yong-Chae
간행물명
한국결정성장학회지
권/호정보
2007년|17권 5호|pp.192-195 (4 pages)
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한국결정성장학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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Structural and electronic properties of bulk GaN with nitrogen vacancy($V_N$), oxygen substitution on nitrogen site($O_N$), and complex of nitrogen vacancy and oxygen substitution on nitrogen site($V_N-O_N$) were investigated using the first principle calculations. It was found that stability of defect formation is dependent on the epilayer growth conditions. The complex of $V_N-O_N$ is energetically the most favorable state in a condition of Ga-rich, however, oxygen substitution in nitrogen site is the most favorable state in N-rich condition. The electronic property of complex with negative charge states at $Gamma$ point was changed from semiconductor to metal. On the contrary, the properties of nitrogen vacancy except for neutral charge state have shown the semiconductor characteristics at $Gamma$ point. In the oxygen substitution on nitrogen site, the energy differences between conduction band minimum and Fermi level were smaller than that of defect-free GaN.