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WANNIER FUNCTIONS AND CHEMICAL BONDING IN COMPOUNDS Be–IV–P2 (IV = C, Si, Ge, Sn) WITH CHALCOPYRITE STRUCTURE
Journal of Structural Chemistry ( IF 1.2 ) Pub Date : 2021-06-25 , DOI: 10.1134/s0022476621060019
Yu. M. Basalaev , A. B. Gordienko

Abstract

Chemical bonding in compound semiconductors Be–IV–P2 (IV = C, Si, Ge, Sn) is considered using Wannier functions calculated for all valence states.



中文翻译:

具有黄铜矿结构的化合物 Be–IV–P2 (IV = C, Si, Ge, Sn) 中的万尼尔函数和化学键合

摘要

化合物半导体 Be-IV-P 2 (IV = C、Si、Ge、Sn) 中的化学键被考虑使用为所有价态计算的万尼尔函数。

更新日期:2021-06-25
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