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Please use this identifier to cite or link to this item: http://hdl.handle.net/10119/12910

Title: Diverse forms of bonding in two-dimensional Si allotropes: Nematic orbitals in the MoS_2 structure
Authors: Gimbert, Florian
Lee, Chi-Cheng
Friedlein, Rainer
Fleurence, Antoine
Yamada-Takamura, Yukiko
Ozaki, Taisuke
Issue Date: 2014-10-17
Publisher: American Physical Society
Magazine name: Physical Review B
Volume: 90
Number: 16
Start page: 165423-1
End page: 165423-5
DOI: 10.1103/PhysRevB.90.165423
Abstract: The interplay of sp^2- and sp^3-type bonding defines silicon allotropes in two- and three-dimensional forms. A two-dimensional phase bearing structural resemblance to a single MoS_2 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 sp^2 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.
Rights: Published by the American Physical Society under the terms of the Creative Commons Attribution 3.0 License. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI. Florian Gimbert, Chi-Cheng Lee, Rainer Friedlein, Antoine Fleurence, Yukiko Yamada-Takamura, and Taisuke Ozaki, Physical Review B, 90(16), 2014, 165423-1-165423-5. http://dx.doi.org/10.1103/PhysRevB.90.165423
URI: http://hdl.handle.net/10119/12910
Material Type: publisher
Appears in Collections:c10-1. 雑誌掲載論文 (Journal Articles)

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