Tunable electronic structures in C3N/WSe2 van der Waals heterostructure by biaxial strain and external electric field

IF 2.8 3区物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY

The European Physical Journal Plus Pub Date : 2023-11-04 DOI:10.1140/epjp/s13360-023-04556-3

Qin Zhang, Pei Chen, Qin Liu, He Huang, Xiaoyang Ma, Tingting Song, Jiehong Lei

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引用次数: 0

Abstract

Van der Waals heterostructures have a wide range of applications in the semiconductor industry. Based on the superior properties of C₃N and WSe₂ monolayers, the stability and electronic properties of C₃N/WSe₂ vdW heterostructure under strain and external electric field are studied using density functional theory. The results show that the C₃N/WSe₂ vdW heterostructure has a type-I band alignment and possesses a direct band gap of 0.397 eV. Furthermore, the electric field and biaxial strain not only modulate the C₃N/WSe₂ band gap, but also induce band alignment (type I to type II) and a direct gap to an indirect gap transition, even undergoing semiconductor-to-metal transition. These results suggest that tunable electronic properties of C₃N/WSe₂ heterostructure has the potential to be applied in semiconductor devices, especially optoelectronic devices.

Graphical abstract

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双轴应变和外电场作用下C3N/WSe2范德华异质结构中的可调谐电子结构

范德华异质结构在半导体工业中有着广泛的应用。基于C3N和WSe2单层的优越性质，利用密度泛函理论研究了C3N/WSe2 vdW异质结构在应变和外电场作用下的稳定性和电子性质。结果表明，C3N/WSe2 vdW异质结构具有I型能带排列，具有0.397eV的直接带隙。此外，电场和双轴应变不仅调制了C3N/WSe2带隙，而且诱导了带排列（I型到II型）和直接带隙到间接带隙的跃迁，甚至经历了半导体到金属的跃迁。这些结果表明，C3N/WSe2异质结构的可调谐电子性质具有在半导体器件，特别是光电子器件中应用的潜力。图形摘要

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来源期刊

The European Physical Journal Plus PHYSICS, MULTIDISCIPLINARY-

CiteScore

5.40

自引率

8.80%

发文量

1150

审稿时长

4-8 weeks

期刊介绍： The aims of this peer-reviewed online journal are to distribute and archive all relevant material required to document, assess, validate and reconstruct in detail the body of knowledge in the physical and related sciences. The scope of EPJ Plus encompasses a broad landscape of fields and disciplines in the physical and related sciences - such as covered by the topical EPJ journals and with the explicit addition of geophysics, astrophysics, general relativity and cosmology, mathematical and quantum physics, classical and fluid mechanics, accelerator and medical physics, as well as physics techniques applied to any other topics, including energy, environment and cultural heritage.