No Cover Image

Journal article 839 views 235 downloads

Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2

Shuo Deng, Yan Zhang, Lijie Li Orcid Logo

IEEE Transactions on Nanotechnology, Pages: 1 - 1

Swansea University Author: Lijie Li Orcid Logo

Check full text

DOI (Published version): 10.1109/TNANO.2018.2805770

Abstract

We report changes of the band structure of hexagonal and orthorhombic cells of the monolayer molybdenum disulfide (MoS2) subject to various magnitude and direction of the mechanical strains based on the first principle method. The conduction band minimum (CBM) of this two-dimensional (2D) material h...

Full description

Published in: IEEE Transactions on Nanotechnology
ISSN: 1536-125X 1941-0085
Published: 2018
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa38744
first_indexed 2018-02-15T20:29:40Z
last_indexed 2018-04-23T13:57:34Z
id cronfa38744
recordtype SURis
fullrecord <?xml version="1.0"?><rfc1807><datestamp>2018-04-23T11:51:15.3741351</datestamp><bib-version>v2</bib-version><id>38744</id><entry>2018-02-15</entry><title>Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2</title><swanseaauthors><author><sid>ed2c658b77679a28e4c1dcf95af06bd6</sid><ORCID>0000-0003-4630-7692</ORCID><firstname>Lijie</firstname><surname>Li</surname><name>Lijie Li</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2018-02-15</date><deptcode>ACEM</deptcode><abstract>We report changes of the band structure of hexagonal and orthorhombic cells of the monolayer molybdenum disulfide (MoS2) subject to various magnitude and direction of the mechanical strains based on the first principle method. The conduction band minimum (CBM) of this two-dimensional (2D) material has been calculated to establish the relation with both the magnitude and direction of the strains. It is found that the CBM at &#x393; point of the hexagonal cell decreases in a slight concave shape for the tensile strain, and a convex shape for the compressive strain. For the orthorhombic cell, we demonstrate that the effect is almost independent on the direction of the applied tensile strain. However, there is a strong directional dependence for compressive strain.</abstract><type>Journal Article</type><journal>IEEE Transactions on Nanotechnology</journal><paginationStart>1</paginationStart><paginationEnd>1</paginationEnd><publisher/><issnPrint>1536-125X</issnPrint><issnElectronic>1941-0085</issnElectronic><keywords/><publishedDay>31</publishedDay><publishedMonth>12</publishedMonth><publishedYear>2018</publishedYear><publishedDate>2018-12-31</publishedDate><doi>10.1109/TNANO.2018.2805770</doi><url/><notes/><college>COLLEGE NANME</college><department>Aerospace, Civil, Electrical, and Mechanical Engineering</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>ACEM</DepartmentCode><institution>Swansea University</institution><apcterm/><lastEdited>2018-04-23T11:51:15.3741351</lastEdited><Created>2018-02-15T19:23:03.1145232</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering</level></path><authors><author><firstname>Shuo</firstname><surname>Deng</surname><order>1</order></author><author><firstname>Yan</firstname><surname>Zhang</surname><order>2</order></author><author><firstname>Lijie</firstname><surname>Li</surname><orcid>0000-0003-4630-7692</orcid><order>3</order></author></authors><documents><document><filename>0038744-02032018110631.pdf</filename><originalFilename>deng2018.pdf</originalFilename><uploaded>2018-03-02T11:06:31.3870000</uploaded><type>Output</type><contentLength>695306</contentLength><contentType>application/pdf</contentType><version>Accepted Manuscript</version><cronfaStatus>true</cronfaStatus><embargoDate>2018-03-02T00:00:00.0000000</embargoDate><copyrightCorrect>true</copyrightCorrect><language>eng</language></document></documents><OutputDurs/></rfc1807>
spelling 2018-04-23T11:51:15.3741351 v2 38744 2018-02-15 Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2 ed2c658b77679a28e4c1dcf95af06bd6 0000-0003-4630-7692 Lijie Li Lijie Li true false 2018-02-15 ACEM We report changes of the band structure of hexagonal and orthorhombic cells of the monolayer molybdenum disulfide (MoS2) subject to various magnitude and direction of the mechanical strains based on the first principle method. The conduction band minimum (CBM) of this two-dimensional (2D) material has been calculated to establish the relation with both the magnitude and direction of the strains. It is found that the CBM at Γ point of the hexagonal cell decreases in a slight concave shape for the tensile strain, and a convex shape for the compressive strain. For the orthorhombic cell, we demonstrate that the effect is almost independent on the direction of the applied tensile strain. However, there is a strong directional dependence for compressive strain. Journal Article IEEE Transactions on Nanotechnology 1 1 1536-125X 1941-0085 31 12 2018 2018-12-31 10.1109/TNANO.2018.2805770 COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University 2018-04-23T11:51:15.3741351 2018-02-15T19:23:03.1145232 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Shuo Deng 1 Yan Zhang 2 Lijie Li 0000-0003-4630-7692 3 0038744-02032018110631.pdf deng2018.pdf 2018-03-02T11:06:31.3870000 Output 695306 application/pdf Accepted Manuscript true 2018-03-02T00:00:00.0000000 true eng
title Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2
spellingShingle Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2
Lijie Li
title_short Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2
title_full Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2
title_fullStr Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2
title_full_unstemmed Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2
title_sort Strain magnitude and direction effect on the energy band structure of hexagonal and orthorhombic monolayer MoS2
author_id_str_mv ed2c658b77679a28e4c1dcf95af06bd6
author_id_fullname_str_mv ed2c658b77679a28e4c1dcf95af06bd6_***_Lijie Li
author Lijie Li
author2 Shuo Deng
Yan Zhang
Lijie Li
format Journal article
container_title IEEE Transactions on Nanotechnology
container_start_page 1
publishDate 2018
institution Swansea University
issn 1536-125X
1941-0085
doi_str_mv 10.1109/TNANO.2018.2805770
college_str Faculty of Science and Engineering
hierarchytype
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
active_str 0
description We report changes of the band structure of hexagonal and orthorhombic cells of the monolayer molybdenum disulfide (MoS2) subject to various magnitude and direction of the mechanical strains based on the first principle method. The conduction band minimum (CBM) of this two-dimensional (2D) material has been calculated to establish the relation with both the magnitude and direction of the strains. It is found that the CBM at Γ point of the hexagonal cell decreases in a slight concave shape for the tensile strain, and a convex shape for the compressive strain. For the orthorhombic cell, we demonstrate that the effect is almost independent on the direction of the applied tensile strain. However, there is a strong directional dependence for compressive strain.
published_date 2018-12-31T19:21:22Z
_version_ 1821343882554638336
score 11.04748

Similar Items