Ab initio study of the hydrogen-adsorbed diamond (001) surface

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	Ab initio study of the hydrogen-adsorbed diamond (001) surface
	Yu, Y ; Xu, LF ; Gu, CZ
刊名	ACTA PHYSICA SINICA
	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
内容类型	期刊论文
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.