Electron Counting and a Large Family of Two-Dimensional Semiconductors
Electron Counting and a Large Family of Two-Dimensional Semiconductors
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DOI：
10.1021/acs.chemmater.5b03557
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发表时间：
2016-04-12
影响因子：
8.6
通讯作者：
Yang, Wen
中科院分区：
文献类型：
--
作者：
Miao, Mao-sheng;Botana, Jorge;Yang, Wen
与传统半导体相比，大多数二维半导体（2DSC）材料在结构和成分上是不同的。在这里，我们使用电子计数规则，提出了一个大家庭的2DSC，都采用相同的结构和组成的唯一的主族元素。先进的密度泛函理论计算被用来预测一些新的2DSC，我们表明，它们跨越了大范围的晶格常数，带隙和带边状态。因此，它们是异质结的良好候选材料。这个二维材料家族可能有助于制造2DSC器件，其可以与目前采用的3D半导体相媲美。
In comparison with conventional semiconductors, most two-dimensional semiconductor (2DSC) materials are dissimilar in structure and composition. Herein, we use electron-counting rules to propose a large family of 2DSCs, which all adopt the same structure and are composed of solely main group elements. Advanced density functional theory calculations are used to predict a number of novel 2DSCs, and we show that they span a large range of lattice constants, band gaps, and band edge states. As a result, they are good candidate materials for heterojunctions. This family of two-dimensional materials may be instrumental in the fabrication of 2DSC devices that may rival the currently employed 3D semiconductors.