Study of structural and electronic properties of (ZnSeZB)m/(ZnSeWZ)n superlattices based on HSE hybrid functional-Reference-Cited by-同舟云学术

Study of structural and electronic properties of (ZnSeZB)m/(ZnSeWZ)n superlattices based on HSE hybrid functional

Published:2019-08-16 Issue:23 Volume:33 Page:1950269
ISSN:0217-9849
Container-title:Modern Physics Letters B
language:en
Short-container-title:Mod. Phys. Lett. B

Author:

Lin Jia-Hong¹,Yang Xiong-Tao¹,Zou Bing-Suo¹,Shi Li-Jie¹^ORCID

Affiliation:

1. Beijing Key Laboratory of Nanophotonics and Ultrafine Optoelectronic Systems, School of Physics, Beijing Institute of Technology, Zhongguancun South Street, Haidian District, Beijing 100081, China

Abstract

Using first-principles method, we studied systematically the structural and electronic properties of ZB/WZ superlattices of ZnSe. The band offsets are calculated by Heyd–Scuseria–Ernzerhof (HSE) hybrid functional which can give a good prediction on the relative band positions. The band alignment at ZB/WZ interface is found to be type-II with holes localized in wurtzite region and electrons in zinc-blende region, which is suitable for optoelectronic and solar energy conversion. The origin of type-II character and the carrier localization are investigated in detail.

Funder

National Natural Science Foundation of China

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0217984919502695

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