Two-Dimensional Phosphorus Carbide: Competition between sp2 and sp3 Bonding
Two-Dimensional Phosphorus Carbide: Competition between sp2 and sp3 Bonding
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DOI：
10.1021/acs.nanolett.6b00767
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发表时间：
2016-05-01
期刊：
影响因子：
10.8
通讯作者：
Tománek, David
中科院分区：
文献类型：
--
作者：
Guan, Jie;Liu, Dan;Tománek, David
我们提出了以前未知的同素异形体的碳化磷（PC）的原子级薄层的稳定形状。不同的稳定几何形状，这是由石墨C中发现的sp（2）键和黑色P中发现的sp（3）键之间的竞争引起的，可以映射到简化结构分类的二维平铺图案上。根据类别，我们确定2D-PC结构，可以是金属，半金属与各向异性狄拉克锥，或直接间隙半导体与他们的间隙可调层内应变。
We propose previously unknown allotropes of phosphorus carbide (PC) in the stable shape of an atomically thin layer. Different stable geometries, which result from the competition between sp(2) bonding found in graphitic C and sp(3) bonding found in black P, may be mapped onto 2D tiling patterns that simplify categorizing of the structures. Depending on the category, we identify 2D-PC structures that can be metallic, semimetallic with an anisotropic Dirac cone, or direct gap semiconductors with their gap tunable by in-layer strain.