| 表面缺陷对氧在InN(0001)上吸附的第一原理研究 |
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| 引用本文： | 赵玉岭,贾英宾,戴宪起. 表面缺陷对氧在InN(0001)上吸附的第一原理研究[J]. 河南师范大学学报(自然科学版), 2009, 37(5) |
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| 作者姓名： | 赵玉岭 贾英宾 戴宪起 |
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| 作者单位： | 郑州师范高等专科学校,物理系,郑州,450044;河南师范大学,物理与信息工程学院,河南,新乡,453007;郑州师范高等专科学校,物理系,郑州,450044;河南师范大学,物理与信息工程学院,河南,新乡,453007 |
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| 摘 要： | 研究了氧在InN(0001)面的吸附结构.结果表明,吸附能随着氧覆盖度的增加而减小,0.25 MLs氧吸附在InN(0001)-(2×2)衬底上的H3位是最稳定的吸附结构.对不同的表面缺陷,氧占据氮位比较稳定.氧的掺入很可能是造成InN的高载流子浓度和带隙变化的重要原因.
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| 关 键 词： | 氧吸附 第一性原理 InN 形成能 |
The Effects of Surface Defects on Oxygen Adsorption on InN(0001) by First-Principles Calculations |
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| ZHAO Yu-ling,JIA Ying-bin,DAI Xian-qi. The Effects of Surface Defects on Oxygen Adsorption on InN(0001) by First-Principles Calculations[J]. Journal of Henan Normal University(Natural Science), 2009, 37(5) |
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| Authors: | ZHAO Yu-ling JIA Ying-bin DAI Xian-qi |
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| Abstract: | First-principles calculations are performed to study the various structures of oxygen(O) adsorbed on InN(0001) surfaces.It is found that the formation energy of O on InN(0001) decreases with decreasing oxygen coverage.Of all the adsorbate induced surface structures examined,the structure of InN(0001)-(2×2) as caused by O adsorption at the H3 sites with 0.25 monolayers coverage is most energetically favorable.Meanwhile,nitrogen(N) vacancy can form spontaneously.Oxygen atoms may also substitute N atoms,or accumulate at the voids inside InN film or simply stay on the surface during growth.The oxygen impurity then acts as a potential source for the n-type conductivity of InN as well as the large energy band gap measured. |
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| Keywords: | InN |
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