铟
单层
从头算
半导体
电场
航程(航空)
电子结构
材料科学
化学物理
过渡金属
从头算量子化学方法
自旋轨道相互作用
垂直的
计算化学
金属
数码产品
化学
凝聚态物理
纳米技术
光电子学
分子
物理
物理化学
量子力学
几何学
冶金
有机化学
催化作用
复合材料
生物化学
数学
作者
Lamjed Debbichi,Olle Eriksson,Sébastien Lebègue
标识
DOI:10.1021/acs.jpclett.5b01356
摘要
We use first-principle calculations to investigate the electronic structure of InSe and In2Se3. The interlayer binding energy is found to be in the same range as for other 2D systems, and the monolayers are found to be dynamically stable, which suggest the possibility to obtain them as isolated layers. The GW approximation including spin-orbit is used to obtain the bandgaps, which are in the range relevant for application in electronics. Also, it is shown that an electric field perpendicular to the layers can induce a semiconductor to metal transition in this family of compounds.
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