中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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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