Diverse forms of bonding in two-dimensional Si allotropes: Nematic orbitals in the MoS2 structure
學年 103
學期 1
出版(發表)日期 2014-10-17
作品名稱 Diverse forms of bonding in two-dimensional Si allotropes: Nematic orbitals in the MoS2 structure
作品名稱(其他語言)
著者 Florian Gimbert; Chi-Cheng Lee; Rainer Friedlein; Antoine Fleurence; Yukiko Yamada-Takamura; Taisuke Ozaki
單位
出版者
著錄名稱、卷期、頁數 Phys. Rev. B 90, 165423
摘要 The interplay of sp2- and sp3-type bonding defines silicon allotropes in two- and three-dimensional forms. A two-dimensional phase bearing structural resemblance to a single MoS2 layer is found to possess a lower total energy than low-buckled silicene and to be stable in terms of its phonon dispersion relations. A set of cigar-shaped nematic orbitals originating from the Si sp2 orbitals realizes bonding with a sixfold coordination of the inner Si atoms of the layer. The identification of these nematic orbitals advocates diverse Si bonding configurations different from those of C atoms.
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語言 en_US
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期刊性質 國外
收錄於 SCI
產學合作
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審稿制度
國別 USA
公開徵稿
出版型式 ,電子版
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機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/117353 )