Negatively curved cubic carbon crystals with octahedral symmetry
作者： Makoto Tagami , Yunye Liang , Hisashi Naito , Yoshiyuki Kawazoe , Motoko Kotani
DOI: 10.1016/J.CARBON.2014.04.077
关键词:
摘要: Abstract After several ad hoc proposals of new 2-dimensional carbon structures, interest in their actual synthesis has begun to increase. One needs a clear orientation or criteria describe those structures an appropriate way. In the present paper, we propose systematic method for discovering stable crystals with sp 2 -bonding using advanced mathematical methods. There are two key ideas: geometric descriptions based on curvatures, symmetries, etc. and standard realization crystal lattices via harmonic theory identify coordinates. We apply this study negatively curved octahedral symmetry after Mackay–Terrones [1] , structures. The stability electronic states proposed investigated first principles calculations.
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