Electric-Field Tunable Band Offsets in Black Phosphorus and MoS2 van der Waals p-n Heterostructure

被引：208

作者：

Huang, Le ^{[1
]}

Huo, Nengjie ^{[1
]}

Li, Yan ^{[1
]}

Chen, Hui ^{[1
]}

Yang, Juehan ^{[1
]}

Wei, Zhongming ^{[1
]}

Li, Jingbo ^{[1
]}

Li, Shu-Shen ^{[1
]}

机构：

[1] Chinese Acad Sci, Inst Semicond, State Key Lab Superlattice & Microstruct, Beijing 100083, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2015年 / 6卷 / 13期

基金：

中国国家自然科学基金;

关键词：

TRANSITION-METAL DICHALCOGENIDES; MONOLAYER MOS2; LAYER MOS2; PHOTOLUMINESCENCE; STRAIN;

D O I：

10.1021/acs.jpclett.5b00976

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structural and electronic properties of black phosphorus/MoS2 (BP/MoS2) van der Waals (vdW) heterostructure are investigated by first-principles calculations. It is demonstrated that the BP/MoS2 bilayer is a type-II p-n vdW heterostructure, and thus the lowest energy electron-hole pairs are spatially separated. The band gap of BP/MoS2 can be significantly modulated by external electric field, and a transition from semiconductor to metal is observed. It gets further support from the band edges of BP and MoS2 in BP/MoS2 bilayer, which show linear variations with E-perpendicular to. BP/MoS2 bilayer also exhibits modulation of its band offsets and band alignment by (perpendicular to), resulting in different spatial distribution of the lowest energy electron-hole pairs. Our theoretical results may inspire much interest in experimental research of BP/MoS2 vdW heterostructures and would open a new avenue for application of the heterostructures in future nano- and optoelectronics.

引用

页码：2483 / 2488

页数：6

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