Tunable electronic structure of black phosphorus/blue phosphorus van der Waals p-n heterostructure
Tunable electronic structure of black phosphorus/blue phosphorus van der Waals p-n heterostructure
复制标题
DOI：
10.1063/1.4942368
复制
发表时间：
2016-02-22
影响因子：
4
通讯作者：
Li, Jingbo
中科院分区：
文献类型：
--
作者：
Huang, Le;Li, Jingbo
采用第一性原理计算方法研究了黑磷/蓝磷（black-p/blue-p）范德华（vdW） p-n异质结构的结构和电子性质。本征ii型带对准与直接带隙在伽玛点被证明。最低能量电子-空穴对的空间分离可以实现，使黑-p/蓝-p异质结构成为光电子学应用的良好候选者。施加垂直电场（e垂直于）可以调制黑-p/蓝-p异质结构的带隙和带边。当受到垂直于的强外部e时，该系统经历了从半导体到金属的转变。带边和准费米能级随垂直于e的函数的变化为带隙的线性变化提供了进一步的认识。我们的计算结果为实验研究铺平了道路，并表明了黑-p/蓝-p vdW异质结构在未来光电子学中的巨大应用潜力。(C) 2016 AIP出版有限责任公司
First principles calculations are used to explore the structural and electronic properties of black phosphorus/blue phosphorus (black-p/blue-p) van der Waals (vdW) p-n heterostructure. An intrinsic type-II band alignment with a direct band gap at Gamma point is demonstrated. The spatial separation of the lowest energy electron-hole pairs can be realized and make black-p/blue-p heterostructure a good candidate for applications in optoelectronics. Black-p/blue-p heterostructure exhibits modulation of its band gap and band edges by applied perpendicular electric field (E-perpendicular to). This system undergoes a transition from semiconductor to metal when subjected to a strong external E-perpendicular to. The variation of band edges and quasi-Fermi level as a function of E-perpendicular to provides further insight to the linear variation of the band gap. Our calculation results pave the way for experimental research and indicate the great application potential of black-p/blue-p vdW heterostructure in future optoelectronics. (C) 2016 AIP Publishing LLC.