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Si(96): A New Silicon Allotrope with Interesting Physical Properties

The structural mechanical properties and electronic properties of a new silicon allotrope Si(96) are investigated at ambient pressure by using a first-principles calculation method with the ultrasoft pseudopotential scheme in the framework of generalized gradient approximation. The elastic constants...

詳細記述

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書誌詳細
出版年:Materials (Basel)
主要な著者: Fan, Qingyang, Chai, Changchun, Wei, Qun, Zhou, Peikun, Zhang, Junqin, Yang, Yintang
フォーマット: Artigo
言語:Inglês
出版事項: MDPI 2016
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC5502977/
https://ncbi.nlm.nih.gov/pubmed/28773409
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma9040284
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