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Stability of direct band gap under mechanical strains for monolayer MoS 2 , MoSe 2 , WS 2 and WSe 2

Shuo Deng, Lijie Li Orcid Logo, Min Li

Physica E: Low-dimensional Systems and Nanostructures, Volume: 101, Pages: 44 - 49

Swansea University Author: Lijie Li Orcid Logo

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DOI (Published version): 10.1016/j.physe.2018.03.016

Abstract

Single layer transition-metal dichalcogenides materials (MoS2, MoSe2, WS2 and WSe2) are investigated using the first-principles method with the emphasis on their responses to mechanical strains. All these materials display the direct band gap under a certain range of strains from compressive to tens...

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Published in: Physica E: Low-dimensional Systems and Nanostructures
ISSN: 13869477
Published: 2018
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URI: https://cronfa.swan.ac.uk/Record/cronfa39050
first_indexed 2018-03-12T20:29:41Z
last_indexed 2018-05-08T19:33:24Z
id cronfa39050
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spelling 2018-05-08T16:52:00.9427241 v2 39050 2018-03-12 Stability of direct band gap under mechanical strains for monolayer MoS 2 , MoSe 2 , WS 2 and WSe 2 ed2c658b77679a28e4c1dcf95af06bd6 0000-0003-4630-7692 Lijie Li Lijie Li true false 2018-03-12 ACEM Single layer transition-metal dichalcogenides materials (MoS2, MoSe2, WS2 and WSe2) are investigated using the first-principles method with the emphasis on their responses to mechanical strains. All these materials display the direct band gap under a certain range of strains from compressive to tensile (stable range). We have found that this stable range is different for these materials. Through studying on their mechanical properties again using the first-principles approach, it is unveiled that this stable strain range is determined by the Young's modulus. More analysis on strains induced electronic band gap properties have also been conducted. Journal Article Physica E: Low-dimensional Systems and Nanostructures 101 44 49 13869477 Direct band gap; 2D materials; Elastic properties; First principles 31 12 2018 2018-12-31 10.1016/j.physe.2018.03.016 COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University 2018-05-08T16:52:00.9427241 2018-03-12T18:36:31.8953149 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Shuo Deng 1 Lijie Li 0000-0003-4630-7692 2 Min Li 3 0039050-15032018093609.pdf deng2018(2).pdf 2018-03-15T09:36:09.7170000 Output 2363505 application/pdf Accepted Manuscript true 2019-03-12T00:00:00.0000000 true eng
title Stability of direct band gap under mechanical strains for monolayer MoS 2 , MoSe 2 , WS 2 and WSe 2
spellingShingle Stability of direct band gap under mechanical strains for monolayer MoS 2 , MoSe 2 , WS 2 and WSe 2
Lijie Li
title_short Stability of direct band gap under mechanical strains for monolayer MoS 2 , MoSe 2 , WS 2 and WSe 2
title_full Stability of direct band gap under mechanical strains for monolayer MoS 2 , MoSe 2 , WS 2 and WSe 2
title_fullStr Stability of direct band gap under mechanical strains for monolayer MoS 2 , MoSe 2 , WS 2 and WSe 2
title_full_unstemmed Stability of direct band gap under mechanical strains for monolayer MoS 2 , MoSe 2 , WS 2 and WSe 2
title_sort Stability of direct band gap under mechanical strains for monolayer MoS 2 , MoSe 2 , WS 2 and WSe 2
author_id_str_mv ed2c658b77679a28e4c1dcf95af06bd6
author_id_fullname_str_mv ed2c658b77679a28e4c1dcf95af06bd6_***_Lijie Li
author Lijie Li
author2 Shuo Deng
Lijie Li
Min Li
format Journal article
container_title Physica E: Low-dimensional Systems and Nanostructures
container_volume 101
container_start_page 44
publishDate 2018
institution Swansea University
issn 13869477
doi_str_mv 10.1016/j.physe.2018.03.016
college_str Faculty of Science and Engineering
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hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
document_store_str 1
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description Single layer transition-metal dichalcogenides materials (MoS2, MoSe2, WS2 and WSe2) are investigated using the first-principles method with the emphasis on their responses to mechanical strains. All these materials display the direct band gap under a certain range of strains from compressive to tensile (stable range). We have found that this stable range is different for these materials. Through studying on their mechanical properties again using the first-principles approach, it is unveiled that this stable strain range is determined by the Young's modulus. More analysis on strains induced electronic band gap properties have also been conducted.
published_date 2018-12-31T19:22:08Z
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score 11.04748

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