Tunable Band Alignment in the Arsenene/WS<sub>2</sub> Heterostructure by Applying Electric Field and Strain

Arsenene has received considerable attention because of its unique optoelectronic and nanoelectronic properties. Nevertheless, the research on van der Waals (vdW) heterojunctions based on arsenene has just begun, which hinders the application of arsenene in the optoelectronic and nanoelectronic fiel...

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Main Authors: Fang Zhang, Xianqi Dai, Liangliang Shang, Wei Li
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/12/10/1390
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author Fang Zhang
Xianqi Dai
Liangliang Shang
Wei Li
author_facet Fang Zhang
Xianqi Dai
Liangliang Shang
Wei Li
author_sort Fang Zhang
collection DOAJ
description Arsenene has received considerable attention because of its unique optoelectronic and nanoelectronic properties. Nevertheless, the research on van der Waals (vdW) heterojunctions based on arsenene has just begun, which hinders the application of arsenene in the optoelectronic and nanoelectronic fields. Here, we systemically predict the stability and electronic structures of the arsenene/WS<sub>2</sub> vdW heterojunction based on first-principles calculations, considering the stacking pattern, electric field, and strain effects. We found that the arsenene/WS<sub>2</sub> heterostructure possesses a type-II band alignment. Moreover, the electric field can effectively tune both the band gap and the band alignment type. Additionally, the band gap could be tuned effectively by strain, while the band alignment type is robust under strain. Our study opens up a new avenue for the application of ultrathin arsenene-based vdW heterostructures in future nano- and optoelectronics applications. Our study demonstrates that the arsenene/WS<sub>2</sub> heterostructure offers a candidate material for optoelectronic and nanoelectronic devices.
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spelling doaj.art-ffe2921e3ec44faa9f97b169eab923982023-11-23T23:37:40ZengMDPI AGCrystals2073-43522022-09-011210139010.3390/cryst12101390Tunable Band Alignment in the Arsenene/WS<sub>2</sub> Heterostructure by Applying Electric Field and StrainFang Zhang0Xianqi Dai1Liangliang Shang2Wei Li3School of Electrical and Mechanical Engineering, Pingdingshan University, Pingdingshan 467000, ChinaSchool of Physics, Henan Normal University, Xinxiang 453007, ChinaSchool of Physics, Henan Normal University, Xinxiang 453007, ChinaSchool of Mathematics and Physics, Henan University of Urban Construction, Pingdingshan 467036, ChinaArsenene has received considerable attention because of its unique optoelectronic and nanoelectronic properties. Nevertheless, the research on van der Waals (vdW) heterojunctions based on arsenene has just begun, which hinders the application of arsenene in the optoelectronic and nanoelectronic fields. Here, we systemically predict the stability and electronic structures of the arsenene/WS<sub>2</sub> vdW heterojunction based on first-principles calculations, considering the stacking pattern, electric field, and strain effects. We found that the arsenene/WS<sub>2</sub> heterostructure possesses a type-II band alignment. Moreover, the electric field can effectively tune both the band gap and the band alignment type. Additionally, the band gap could be tuned effectively by strain, while the band alignment type is robust under strain. Our study opens up a new avenue for the application of ultrathin arsenene-based vdW heterostructures in future nano- and optoelectronics applications. Our study demonstrates that the arsenene/WS<sub>2</sub> heterostructure offers a candidate material for optoelectronic and nanoelectronic devices.https://www.mdpi.com/2073-4352/12/10/1390electric fieldband alignmentstrainarsenene/WS<sub>2</sub> heterostructure
spellingShingle Fang Zhang
Xianqi Dai
Liangliang Shang
Wei Li
Tunable Band Alignment in the Arsenene/WS<sub>2</sub> Heterostructure by Applying Electric Field and Strain
Crystals
electric field
band alignment
strain
arsenene/WS<sub>2</sub> heterostructure
title Tunable Band Alignment in the Arsenene/WS<sub>2</sub> Heterostructure by Applying Electric Field and Strain
title_full Tunable Band Alignment in the Arsenene/WS<sub>2</sub> Heterostructure by Applying Electric Field and Strain
title_fullStr Tunable Band Alignment in the Arsenene/WS<sub>2</sub> Heterostructure by Applying Electric Field and Strain
title_full_unstemmed Tunable Band Alignment in the Arsenene/WS<sub>2</sub> Heterostructure by Applying Electric Field and Strain
title_short Tunable Band Alignment in the Arsenene/WS<sub>2</sub> Heterostructure by Applying Electric Field and Strain
title_sort tunable band alignment in the arsenene ws sub 2 sub heterostructure by applying electric field and strain
topic electric field
band alignment
strain
arsenene/WS<sub>2</sub> heterostructure
url https://www.mdpi.com/2073-4352/12/10/1390
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AT xianqidai tunablebandalignmentinthearsenenewssub2subheterostructurebyapplyingelectricfieldandstrain
AT liangliangshang tunablebandalignmentinthearsenenewssub2subheterostructurebyapplyingelectricfieldandstrain
AT weili tunablebandalignmentinthearsenenewssub2subheterostructurebyapplyingelectricfieldandstrain