Tunable electronic properties of monolayer MnPSe3/MoTe2 heterostructure: a first principles study

The construction of van der Waals heterostructures is deemed to be a novel scheme to circumvent the shortcomings of their components and bear potentials for applications in electronic devices. Here we systematically investigate the structural and electronic properties of a monolayer MnPSe3/MoTe2 het...

Full description

Saved in:
Bibliographic Details
Published in:Journal of physics. Condensed matter 2019-10, Vol.31 (40), p.405705-405705
Main Authors: Fang, Limei, Feng, Qingguo, Luo, Sheng-Nian
Format: Article
Language:English
Subjects:
electric field
heterostructure
strain
Citations: Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by cdi_FETCH-LOGICAL-c327t-c1fc843ca725244db4da4a9007b0910f0ef0182b8b78c9b8366d2f33bc113efe3
cites
container_end_page 405705
container_issue 40
container_start_page 405705
container_title Journal of physics. Condensed matter
container_volume 31
creator Fang, Limei
Feng, Qingguo
Luo, Sheng-Nian
description The construction of van der Waals heterostructures is deemed to be a novel scheme to circumvent the shortcomings of their components and bear potentials for applications in electronic devices. Here we systematically investigate the structural and electronic properties of a monolayer MnPSe3/MoTe2 heterostructure with the first principles calculations. The heterostructure stablizes in the antiferromagnetic state and possesses a typical type-II band alignment, with which the photoexcited electrons and holes can be effectively separated and their fast recombination can hence be suppressed. Meanwhile, an inherent electric field is observed at the interface between MnPSe3 and MoTe2. Interestingly, the band gap of the heterostructure shows a quasi-linear dependence on the external electric field applied, and is tunable within the semiconductor to semimetal range. The tunability with applied strain is also investigated and discussed.
doi_str_mv 10.1088/1361-648X/ab2b1c
format article
fullrecord <record><control><sourceid>proquest_pubme</sourceid><recordid>TN_cdi_pubmed_primary_31216528</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2244130878</sourcerecordid><originalsourceid>FETCH-LOGICAL-c327t-c1fc843ca725244db4da4a9007b0910f0ef0182b8b78c9b8366d2f33bc113efe3</originalsourceid><addsrcrecordid>eNptkUtLxDAUhYMozvjYu5LudGGdvNqm7kR8gaLgCO5Ckt5gpW1qki7m35thRlfChQuX7xwO9yB0QvAlwUIsCCtJXnLxsVCaamJ20PzvtIvmuC5YLmrBZ-gghC-MMReM76MZI5SUBRVzpJbToHQHGXRgondDa7LRuxF8bCFkzma9G1ynVuCz5-H1Ddji2S2BZp8QwbsQ_WTi5OEqU5ltfYhJ3Q6mHbukDnFqVkdoz6ouwPF2H6L3u9vlzUP-9HL_eHP9lBtGq5gbYo3gzKiKFpTzRvNGcVVjXGlcE2wxWEwE1UJXwtRasLJsqGVMG0IYWGCH6Hzjm-J_TxCi7NtgoOvUAG4KkiZXwrCoREJPt-ike2hkitwrv5K_b0nA2QZo3Si_3OSHlFyaPhGS4zRFhQs5NjaRF_-QBMt1P3JdhlyXITf9sB9va4Ev</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2244130878</pqid></control><display><type>article</type><title>Tunable electronic properties of monolayer MnPSe3/MoTe2 heterostructure: a first principles study</title><source>Institute of Physics:Jisc Collections:IOP Publishing Read and Publish 2024-2025 (Reading List)</source><creator>Fang, Limei ; Feng, Qingguo ; Luo, Sheng-Nian</creator><creatorcontrib>Fang, Limei ; Feng, Qingguo ; Luo, Sheng-Nian</creatorcontrib><description>The construction of van der Waals heterostructures is deemed to be a novel scheme to circumvent the shortcomings of their components and bear potentials for applications in electronic devices. Here we systematically investigate the structural and electronic properties of a monolayer MnPSe3/MoTe2 heterostructure with the first principles calculations. The heterostructure stablizes in the antiferromagnetic state and possesses a typical type-II band alignment, with which the photoexcited electrons and holes can be effectively separated and their fast recombination can hence be suppressed. Meanwhile, an inherent electric field is observed at the interface between MnPSe3 and MoTe2. Interestingly, the band gap of the heterostructure shows a quasi-linear dependence on the external electric field applied, and is tunable within the semiconductor to semimetal range. The tunability with applied strain is also investigated and discussed.</description><identifier>ISSN: 0953-8984</identifier><identifier>EISSN: 1361-648X</identifier><identifier>DOI: 10.1088/1361-648X/ab2b1c</identifier><identifier>PMID: 31216528</identifier><identifier>CODEN: JCOMEL</identifier><language>eng</language><publisher>England: IOP Publishing</publisher><subject>electric field ; heterostructure ; strain</subject><ispartof>Journal of physics. Condensed matter, 2019-10, Vol.31 (40), p.405705-405705</ispartof><rights>2019 IOP Publishing Ltd</rights><rights>2019 IOP Publishing Ltd.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c327t-c1fc843ca725244db4da4a9007b0910f0ef0182b8b78c9b8366d2f33bc113efe3</citedby><orcidid>0000-0002-7538-0541 ; 0000-0002-0242-8436 ; 0000-0003-2995-0387</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/31216528$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Fang, Limei</creatorcontrib><creatorcontrib>Feng, Qingguo</creatorcontrib><creatorcontrib>Luo, Sheng-Nian</creatorcontrib><title>Tunable electronic properties of monolayer MnPSe3/MoTe2 heterostructure: a first principles study</title><title>Journal of physics. Condensed matter</title><addtitle>JPhysCM</addtitle><addtitle>J. Phys.: Condens. Matter</addtitle><description>The construction of van der Waals heterostructures is deemed to be a novel scheme to circumvent the shortcomings of their components and bear potentials for applications in electronic devices. Here we systematically investigate the structural and electronic properties of a monolayer MnPSe3/MoTe2 heterostructure with the first principles calculations. The heterostructure stablizes in the antiferromagnetic state and possesses a typical type-II band alignment, with which the photoexcited electrons and holes can be effectively separated and their fast recombination can hence be suppressed. Meanwhile, an inherent electric field is observed at the interface between MnPSe3 and MoTe2. Interestingly, the band gap of the heterostructure shows a quasi-linear dependence on the external electric field applied, and is tunable within the semiconductor to semimetal range. The tunability with applied strain is also investigated and discussed.</description><subject>electric field</subject><subject>heterostructure</subject><subject>strain</subject><issn>0953-8984</issn><issn>1361-648X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNptkUtLxDAUhYMozvjYu5LudGGdvNqm7kR8gaLgCO5Ckt5gpW1qki7m35thRlfChQuX7xwO9yB0QvAlwUIsCCtJXnLxsVCaamJ20PzvtIvmuC5YLmrBZ-gghC-MMReM76MZI5SUBRVzpJbToHQHGXRgondDa7LRuxF8bCFkzma9G1ynVuCz5-H1Ddji2S2BZp8QwbsQ_WTi5OEqU5ltfYhJ3Q6mHbukDnFqVkdoz6ouwPF2H6L3u9vlzUP-9HL_eHP9lBtGq5gbYo3gzKiKFpTzRvNGcVVjXGlcE2wxWEwE1UJXwtRasLJsqGVMG0IYWGCH6Hzjm-J_TxCi7NtgoOvUAG4KkiZXwrCoREJPt-ike2hkitwrv5K_b0nA2QZo3Si_3OSHlFyaPhGS4zRFhQs5NjaRF_-QBMt1P3JdhlyXITf9sB9va4Ev</recordid><startdate>20191009</startdate><enddate>20191009</enddate><creator>Fang, Limei</creator><creator>Feng, Qingguo</creator><creator>Luo, Sheng-Nian</creator><general>IOP Publishing</general><scope>NPM</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0002-7538-0541</orcidid><orcidid>https://orcid.org/0000-0002-0242-8436</orcidid><orcidid>https://orcid.org/0000-0003-2995-0387</orcidid></search><sort><creationdate>20191009</creationdate><title>Tunable electronic properties of monolayer MnPSe3/MoTe2 heterostructure: a first principles study</title><author>Fang, Limei ; Feng, Qingguo ; Luo, Sheng-Nian</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c327t-c1fc843ca725244db4da4a9007b0910f0ef0182b8b78c9b8366d2f33bc113efe3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>electric field</topic><topic>heterostructure</topic><topic>strain</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Fang, Limei</creatorcontrib><creatorcontrib>Feng, Qingguo</creatorcontrib><creatorcontrib>Luo, Sheng-Nian</creatorcontrib><collection>PubMed</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of physics. Condensed matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Fang, Limei</au><au>Feng, Qingguo</au><au>Luo, Sheng-Nian</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Tunable electronic properties of monolayer MnPSe3/MoTe2 heterostructure: a first principles study</atitle><jtitle>Journal of physics. Condensed matter</jtitle><stitle>JPhysCM</stitle><addtitle>J. Phys.: Condens. Matter</addtitle><date>2019-10-09</date><risdate>2019</risdate><volume>31</volume><issue>40</issue><spage>405705</spage><epage>405705</epage><pages>405705-405705</pages><issn>0953-8984</issn><eissn>1361-648X</eissn><coden>JCOMEL</coden><abstract>The construction of van der Waals heterostructures is deemed to be a novel scheme to circumvent the shortcomings of their components and bear potentials for applications in electronic devices. Here we systematically investigate the structural and electronic properties of a monolayer MnPSe3/MoTe2 heterostructure with the first principles calculations. The heterostructure stablizes in the antiferromagnetic state and possesses a typical type-II band alignment, with which the photoexcited electrons and holes can be effectively separated and their fast recombination can hence be suppressed. Meanwhile, an inherent electric field is observed at the interface between MnPSe3 and MoTe2. Interestingly, the band gap of the heterostructure shows a quasi-linear dependence on the external electric field applied, and is tunable within the semiconductor to semimetal range. The tunability with applied strain is also investigated and discussed.</abstract><cop>England</cop><pub>IOP Publishing</pub><pmid>31216528</pmid><doi>10.1088/1361-648X/ab2b1c</doi><tpages>8</tpages><orcidid>https://orcid.org/0000-0002-7538-0541</orcidid><orcidid>https://orcid.org/0000-0002-0242-8436</orcidid><orcidid>https://orcid.org/0000-0003-2995-0387</orcidid></addata></record>
fulltext fulltext
identifier ISSN: 0953-8984
ispartof Journal of physics. Condensed matter, 2019-10, Vol.31 (40), p.405705-405705
issn 0953-8984
1361-648X
language eng
recordid cdi_pubmed_primary_31216528
source Institute of Physics:Jisc Collections:IOP Publishing Read and Publish 2024-2025 (Reading List)
subjects electric field
heterostructure
strain
title Tunable electronic properties of monolayer MnPSe3/MoTe2 heterostructure: a first principles study
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-20T10%3A46%3A25IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_pubme&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Tunable%20electronic%20properties%20of%20monolayer%20MnPSe3/MoTe2%20heterostructure:%20a%20first%20principles%20study&rft.jtitle=Journal%20of%20physics.%20Condensed%20matter&rft.au=Fang,%20Limei&rft.date=2019-10-09&rft.volume=31&rft.issue=40&rft.spage=405705&rft.epage=405705&rft.pages=405705-405705&rft.issn=0953-8984&rft.eissn=1361-648X&rft.coden=JCOMEL&rft_id=info:doi/10.1088/1361-648X/ab2b1c&rft_dat=%3Cproquest_pubme%3E2244130878%3C/proquest_pubme%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c327t-c1fc843ca725244db4da4a9007b0910f0ef0182b8b78c9b8366d2f33bc113efe3%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2244130878&rft_id=info:pmid/31216528&rfr_iscdi=true