First principles study of Li-Si crystalline phases: Charge transfer, electronic structure, and lattice vibrations

V. L. Chevrier; J. W. Zwanziger; J. R. Dahn

doi:10.1016/j.jallcom.2010.01.142

First principles study of Li-Si crystalline phases: Charge transfer, electronic structure, and lattice vibrations

V. L. Chevrier, J. W. Zwanziger, J. R. Dahn

科研成果: 期刊稿件 › 文章 › 同行评审

源语言	英语
页（从-至）	25-36
页数	12
期刊	Journal of Alloys and Compounds
卷	496
期	1-2
DOI	https://doi.org/10.1016/j.jallcom.2010.01.142
出版状态	已出版 - 4月 30 2010

!!!ASJC Scopus Subject Areas

材料力学
机械工程
金属和合金
材料化学

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10.1016/j.jallcom.2010.01.142

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title = "First principles study of Li-Si crystalline phases: Charge transfer, electronic structure, and lattice vibrations",

author = "Chevrier, {V. L.} and Zwanziger, {J. W.} and Dahn, {J. R.}",

note = "Funding Information: The authors acknowledge the Natural Sciences and Engineering Research Council of Canada (NSERC) and 3M for funding. V.L.C. acknowledges the Izaak Walton Killam Foundation. Calculations were performed on computational resources supplied by the Institute for Research in Materials (IRM) of Dalhousie University and by Canada{\textquoteright}s Atlantic Computational Excellence Network (ACEnet). ",

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AU - Zwanziger, J. W.

AU - Dahn, J. R.

N1 - Funding Information: The authors acknowledge the Natural Sciences and Engineering Research Council of Canada (NSERC) and 3M for funding. V.L.C. acknowledges the Izaak Walton Killam Foundation. Calculations were performed on computational resources supplied by the Institute for Research in Materials (IRM) of Dalhousie University and by Canada’s Atlantic Computational Excellence Network (ACEnet).

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First principles study of Li-Si crystalline phases: Charge transfer, electronic structure, and lattice vibrations

!!!ASJC Scopus Subject Areas

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