Calculated Resistances of Single Grain Boundaries in Copper

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	Calculated Resistances of Single Grain Boundaries in Copper
	Cesar, M ; Liu, DP ; Gall, D ; Guo, H
刊名	PHYSICAL REVIEW APPLIED
	2014
卷号	2 期号:4
ISSN号	2331-7019
通讯作者	Cesar, M (reprint author), McGill Univ, Ctr Phys Mat, Montreal, PQ H3A 2T8, Canada.
中文摘要	The resistance of copper grain boundaries (GBs) is calculated systematically through a full atomistic quantum approach. A set of twin GBs, including the coherent twin GB, is generated by density functional theory (DFT) total energy relaxation starting from the coincidence site lattice (CSL) model. The atomic structure of the GBs is used to construct two-probe transport junctions for quantum-transport analysis by carrying out DFTwithin the Green's function formalism. The specific resistivity calculated for the coherent twin GB is found to be quantitatively consistent with the available experimental and theoretical data. The specific resistivity and reflection coefficient of other more complex GBs are predicted. The interfacial energy density and specific resistivity are both found to inversely relate with the planar density of coincidence sites. Comparison of our calculated specific resistivities and reflection coefficients with the corresponding GB-averaged experimental quantities shines light on the microstructure of the samples.
资助信息	Semiconductor Research Corporation through Center for Advanced Interconnect Systems Technologies [1292.078]; FQRNT of Quebec; NSERC of Canada
语种	英语
公开日期	2015-04-14
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/59486]
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	Cesar, M,Liu, DP,Gall, D,et al. Calculated Resistances of Single Grain Boundaries in Copper[J]. PHYSICAL REVIEW APPLIED,2014,2(4).
APA	Cesar, M,Liu, DP,Gall, D,&Guo, H.(2014).Calculated Resistances of Single Grain Boundaries in Copper.PHYSICAL REVIEW APPLIED,2(4).
MLA	Cesar, M,et al."Calculated Resistances of Single Grain Boundaries in Copper".PHYSICAL REVIEW APPLIED 2.4(2014).