Controlling electronic properties of PtS2/InSe van der Waals heterostructure via external electric field and vertical strain

被引：33

作者：

Chuong V Nguyen ^{[1
]}

Bui, H. D. ^{[2
]}

Trinh D Nguyen ^{[3
,4
]}

Khang D Pham ^{[5
,6
]}

机构：

[1] Le Quy Don Tech Univ, Dept Mat Sci & Engn, Hanoi, Vietnam

[2] Duy Tan Univ, Inst Res & Dev, Da Nang 550000, Vietnam

[3] Nguyen Tat Thanh Univ, NTT Hitech Inst, Ho Chi Minh City, Vietnam

[4] Nguyen Tat Thanh Univ, Ctr Excellence Green Energy & Environm Nanomat CE, Ho Chi Minh City, Vietnam

[5] Ton Duc Thang Univ, Adv Inst Mat Sci, Lab Appl Phys, Ho Chi Minh City, Vietnam

[6] Ton Duc Thang Univ, Fac Appl Sci, Ho Chi Minh City, Vietnam

来源：

CHEMICAL PHYSICS LETTERS | 2019年 / 724卷

关键词：

DFT calculations; van der Waals heterostructures; Band gap controllable; Strain engineering; Electric field; GENERALIZED GRADIENT APPROXIMATION; DILUTE CHARGED IMPURITY; OPTICAL-PROPERTIES; MAGNETIC-FIELD; THERMODYNAMIC PROPERTIES; BAND ALIGNMENT; TRANSITION; GRAPHENE; MONOLAYER; PHOSPHORENE;

D O I：

10.1016/j.cplett.2019.03.048

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：

In this letter, we systematically investigate the electronic properties of the PtS2/InSe heterostructure using firstprinciple calculations. At the equilibrium interlayer distance D = 3.23 angstrom, the PtS2/InSe heterostructure displays a semiconducting character with an indirect band gap. Moreover, it forms a type-II band alignment, making the PtS2/InSe heterostructure a potential material for efficient separation of photogenerated electron-hole pairs. More interestingly, by applying vertical strain and electric field, the electronic properties of the PtS2/InSe heterostructure can be effectively controlled, and a semiconductor-to-metal transition even emerges. These findings suggest attractive potential application for PtS2/InSe heterostructure as a novel optolectronic nanodevices, along with a potential pholocatalyst.

引用

页码：1 / 7

页数：7

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