GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement
GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement
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GeP3：具有高载流子迁移率和强层间量子限制的小型间接带隙二维晶体
DOI：
10.1021/acs.nanolett.6b05143
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发表时间：
2017-03-01
期刊：
影响因子：
10.8
通讯作者：
Heine, Thomas
中科院分区：
文献类型：
--
作者：
Jing, Yu;Ma, Yandong;Heine, Thomas
我们提出了一个二维的晶体，具有低的间接带隙为0.55 eV（单层）和0.43 eV（双层）和高载流子迁移率类似的磷烯，GeP 3。GeP 3有一个稳定的三维层状体相对应物，它是金属的，自1970年以来从实验中已知。GeP 3单分子层的解理能为1.14 J m（-2），这表明大块材料的剥离是制备单层和少层材料的可行方法。该材料显示出强烈的层间量子限制效应，导致带隙从单层减小到双层，然后到双层和三层之间的半导体-金属过渡。在双轴应变下，间接带隙可以转变为直接带隙。预测单层和双层在600至1400 nm的光谱范围内具有明显的光吸收，并有望在光化学中应用。
We propose a two-dimensional crystal that possesses low indirect band gaps of 0.55 eV (monolayer) and 0.43 eV (bilayer) and high carrier mobilities similar to those of phosphorene, GeP3. GeP3 has a stable three-dimensional layered bulk counterpart, which is metallic and known from experiment since 1970. GeP3 monolayer has a calculated cleavage energy of 1.14 J m(-2), which suggests exfoliation of bulk material as viable means for the preparation of mono- and few-layer materials. The material shows strong interlayer quantum confinement effects, resulting in a band gap reduction from mono- to bilayer, and then to a semiconductor-metal transition between bi- and triple layer. Under biaxial strain, the indirect band gap can be turned into a direct one. Pronounced light absorption in the spectral range from similar to 600 to 1400 nm is predicted for monolayer and bilayer and promises applications in photovoltaics.