Ab initio study of the hydrogen-adsorbed diamond (001) surface
文献类型：期刊论文
| 作者 | Yu, Y ; Xu, LF ; Gu, CZ |
| 刊名 | ACTA PHYSICA SINICA
 |
| 出版日期 | 2004 |
| 卷号 | 53期号:8页码:2710 |
| 关键词 | TOTAL-ENERGY CALCULATIONS FIELD-EFFECT TRANSISTORS WAVE BASIS-SET ELECTRICAL-PROPERTIES DIMER RECONSTRUCTION ELECTRONIC-STRUCTURE MOLECULAR-DYNAMICS C(100) SURFACES FILMS MECHANISM |
| ISSN号 | 1000-3290 |
| 通讯作者 | Yu, Y: Chinese Acad Sci, Inst Phys, State Key Lab Surface Phys, Beijing 100080, Peoples R China. |
| 中文摘要 | The hydrogen-adsorbed diamond (001) surface is studied by ab initio pseudopotential method. The bare and monohydride surface configurations are calculated. The alteration of the charge density redistribution of the monohydride surface shows the formation of the C-H bonding, which leads to electron transfer from carbon atoms in the surface layer to the absorbed H atoms. The mechanism of alteration for charge density redistribution is discussed, which provides a theoretical background for the previous experimental observations and the model of electrical properties of diamond surface. |
| 收录类别 | SCI |
| 语种 | 中文 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/33394]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Yu, Y,Xu, LF,Gu, CZ. Ab initio study of the hydrogen-adsorbed diamond (001) surface[J]. ACTA PHYSICA SINICA,2004,53(8):2710. |
| APA | Yu, Y,Xu, LF,&Gu, CZ.(2004).Ab initio study of the hydrogen-adsorbed diamond (001) surface.ACTA PHYSICA SINICA,53(8),2710. |
| MLA | Yu, Y,et al."Ab initio study of the hydrogen-adsorbed diamond (001) surface".ACTA PHYSICA SINICA 53.8(2004):2710. |
入库方式： OAI收割
来源：物理研究所
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