Effect of stacking type and magnetic moment in spin-valley polarized MoS2–MoSe2 heterobilayers

In this work, we focused on engineering the bandgap of the MoS2–MoSe2 heterobilayer via either stacking type or induced magnetic moment with the aid of density functional theory. We have computed the electronic properties of different stacking MoS2–MoSe2 heterobilayers and their magnetization compon...

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Main Authors: Yanwei Wu, Tao Liu, Ning Hao, Mingsheng Long, Min Zhang, Qingqing Sun, Lei Shan
Format: Article
Language:English
Published: AIP Publishing LLC 2022-10-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0105206
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author Yanwei Wu
Tao Liu
Ning Hao
Mingsheng Long
Min Zhang
Qingqing Sun
Lei Shan
author_facet Yanwei Wu
Tao Liu
Ning Hao
Mingsheng Long
Min Zhang
Qingqing Sun
Lei Shan
author_sort Yanwei Wu
collection DOAJ
description In this work, we focused on engineering the bandgap of the MoS2–MoSe2 heterobilayer via either stacking type or induced magnetic moment with the aid of density functional theory. We have computed the electronic properties of different stacking MoS2–MoSe2 heterobilayers and their magnetization components, in which all situations retain spin-valley locking. Calculations show that different stacking types can cause a bandgap change of a maximum of 0.1 eV. On the other hand, a micro-enhanced magnetic moment in the heterobilayer increases the bandgap (in some cases, there are changes close to 0.3 eV) significantly. Results suggest that the stacking type and induced magnetic moment make MoS2–MoSe2 heterobilayers potential candidates for valleytronics applications. This study provides a new pathway in tuning spin-valley polarization of valleytronics devices.
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spelling doaj.art-57b309a07b204c6ca95b3028d0c53ac32022-12-22T04:11:14ZengAIP Publishing LLCAIP Advances2158-32262022-10-011210105214105214-610.1063/5.0105206Effect of stacking type and magnetic moment in spin-valley polarized MoS2–MoSe2 heterobilayersYanwei Wu0Tao Liu1Ning Hao2Mingsheng Long3Min Zhang4Qingqing Sun5Lei Shan6Information Materials and Intelligent Sensing Laboratory of Anhui Province, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Institutes of Physical Science and Information Technology, Anhui University, 111 Jiu Long Road, Hefei 230601, ChinaInformation Materials and Intelligent Sensing Laboratory of Anhui Province, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Institutes of Physical Science and Information Technology, Anhui University, 111 Jiu Long Road, Hefei 230601, ChinaAnhui Province Key Laboratory of Condensed Matter Physics at Extreme Conditions, High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031, ChinaInformation Materials and Intelligent Sensing Laboratory of Anhui Province, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Institutes of Physical Science and Information Technology, Anhui University, 111 Jiu Long Road, Hefei 230601, ChinaCollege of Data Science, Jiaxing University, Jiaxing 314001, ChinaState Key Laboratory of ASIC and System, School of Microelectronics, Fudan University, No. 220 Handan Road, Shanghai 200433, ChinaInformation Materials and Intelligent Sensing Laboratory of Anhui Province, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Institutes of Physical Science and Information Technology, Anhui University, 111 Jiu Long Road, Hefei 230601, ChinaIn this work, we focused on engineering the bandgap of the MoS2–MoSe2 heterobilayer via either stacking type or induced magnetic moment with the aid of density functional theory. We have computed the electronic properties of different stacking MoS2–MoSe2 heterobilayers and their magnetization components, in which all situations retain spin-valley locking. Calculations show that different stacking types can cause a bandgap change of a maximum of 0.1 eV. On the other hand, a micro-enhanced magnetic moment in the heterobilayer increases the bandgap (in some cases, there are changes close to 0.3 eV) significantly. Results suggest that the stacking type and induced magnetic moment make MoS2–MoSe2 heterobilayers potential candidates for valleytronics applications. This study provides a new pathway in tuning spin-valley polarization of valleytronics devices.http://dx.doi.org/10.1063/5.0105206
spellingShingle Yanwei Wu
Tao Liu
Ning Hao
Mingsheng Long
Min Zhang
Qingqing Sun
Lei Shan
Effect of stacking type and magnetic moment in spin-valley polarized MoS2–MoSe2 heterobilayers
AIP Advances
title Effect of stacking type and magnetic moment in spin-valley polarized MoS2–MoSe2 heterobilayers
title_full Effect of stacking type and magnetic moment in spin-valley polarized MoS2–MoSe2 heterobilayers
title_fullStr Effect of stacking type and magnetic moment in spin-valley polarized MoS2–MoSe2 heterobilayers
title_full_unstemmed Effect of stacking type and magnetic moment in spin-valley polarized MoS2–MoSe2 heterobilayers
title_short Effect of stacking type and magnetic moment in spin-valley polarized MoS2–MoSe2 heterobilayers
title_sort effect of stacking type and magnetic moment in spin valley polarized mos2 mose2 heterobilayers
url http://dx.doi.org/10.1063/5.0105206
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