Journal article 1268 views
3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides
ACS Applied Materials & Interfaces, Volume: 7, Issue: 46, Pages: 25709 - 25715
Swansea University Author: Yuzheng Guo
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DOI (Published version): 10.1021/acsami.5b06897
Abstract
The transition metal dichalcogenides (TMDs) are two-dimensional layered solids with van der Waals bonding between layers. We calculate their Schottky barrier heights (SBHs) using supercell models and density functional theory. It is found that the SBHs without defects are quite strongly pinned, with...
Published in: | ACS Applied Materials & Interfaces |
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ISSN: | 1944-8244 1944-8252 |
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2015
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URI: | https://cronfa.swan.ac.uk/Record/cronfa32122 |
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<?xml version="1.0"?><rfc1807><datestamp>2021-09-24T14:44:52.7027376</datestamp><bib-version>v2</bib-version><id>32122</id><entry>2017-02-27</entry><title>3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides</title><swanseaauthors><author><sid>2c285ab01f88f7ecb25a3aacabee52ea</sid><ORCID>0000-0003-2656-0340</ORCID><firstname>Yuzheng</firstname><surname>Guo</surname><name>Yuzheng Guo</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2017-02-27</date><deptcode>GENG</deptcode><abstract>The transition metal dichalcogenides (TMDs) are two-dimensional layered solids with van der Waals bonding between layers. We calculate their Schottky barrier heights (SBHs) using supercell models and density functional theory. It is found that the SBHs without defects are quite strongly pinned, with a pinning factor S of about S = 0.3, a similar value for both top and edge contact geometries. This arises because there is direct bonding between the contact metal atoms and the TMD chalcogen atoms, for both top and edge contact geometries, despite the weak interlayer bonding in the isolated materials. The Schottky barriers largely follow the metal induced gap state (MIGS) model, like those of three-dimensional semiconductors, despite the bonding in the TMDs being largely constrained within the layers. The pinning energies are found to be lower in the gap for edge contact geometries than for top contact geometries, which might be used to obtain p-type contacts on MoS2.</abstract><type>Journal Article</type><journal>ACS Applied Materials & Interfaces</journal><volume>7</volume><journalNumber>46</journalNumber><paginationStart>25709</paginationStart><paginationEnd>25715</paginationEnd><publisher/><placeOfPublication/><isbnPrint/><isbnElectronic/><issnPrint>1944-8244</issnPrint><issnElectronic>1944-8252</issnElectronic><keywords/><publishedDay>2</publishedDay><publishedMonth>11</publishedMonth><publishedYear>2015</publishedYear><publishedDate>2015-11-02</publishedDate><doi>10.1021/acsami.5b06897</doi><url/><notes/><college>COLLEGE NANME</college><department>General Engineering</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>GENG</DepartmentCode><institution>Swansea University</institution><apcterm/><lastEdited>2021-09-24T14:44:52.7027376</lastEdited><Created>2017-02-27T10:30:23.7212690</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering</level></path><authors><author><firstname>Yuzheng</firstname><surname>Guo</surname><orcid>0000-0003-2656-0340</orcid><order>1</order></author><author><firstname>Dameng</firstname><surname>Liu</surname><order>2</order></author><author><firstname>John</firstname><surname>Robertson</surname><order>3</order></author></authors><documents/><OutputDurs/></rfc1807> |
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2021-09-24T14:44:52.7027376 v2 32122 2017-02-27 3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides 2c285ab01f88f7ecb25a3aacabee52ea 0000-0003-2656-0340 Yuzheng Guo Yuzheng Guo true false 2017-02-27 GENG The transition metal dichalcogenides (TMDs) are two-dimensional layered solids with van der Waals bonding between layers. We calculate their Schottky barrier heights (SBHs) using supercell models and density functional theory. It is found that the SBHs without defects are quite strongly pinned, with a pinning factor S of about S = 0.3, a similar value for both top and edge contact geometries. This arises because there is direct bonding between the contact metal atoms and the TMD chalcogen atoms, for both top and edge contact geometries, despite the weak interlayer bonding in the isolated materials. The Schottky barriers largely follow the metal induced gap state (MIGS) model, like those of three-dimensional semiconductors, despite the bonding in the TMDs being largely constrained within the layers. The pinning energies are found to be lower in the gap for edge contact geometries than for top contact geometries, which might be used to obtain p-type contacts on MoS2. Journal Article ACS Applied Materials & Interfaces 7 46 25709 25715 1944-8244 1944-8252 2 11 2015 2015-11-02 10.1021/acsami.5b06897 COLLEGE NANME General Engineering COLLEGE CODE GENG Swansea University 2021-09-24T14:44:52.7027376 2017-02-27T10:30:23.7212690 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering Yuzheng Guo 0000-0003-2656-0340 1 Dameng Liu 2 John Robertson 3 |
title |
3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides |
spellingShingle |
3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides Yuzheng Guo |
title_short |
3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides |
title_full |
3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides |
title_fullStr |
3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides |
title_full_unstemmed |
3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides |
title_sort |
3D Behavior of Schottky Barriers of 2D Transition-Metal Dichalcogenides |
author_id_str_mv |
2c285ab01f88f7ecb25a3aacabee52ea |
author_id_fullname_str_mv |
2c285ab01f88f7ecb25a3aacabee52ea_***_Yuzheng Guo |
author |
Yuzheng Guo |
author2 |
Yuzheng Guo Dameng Liu John Robertson |
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Journal article |
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ACS Applied Materials & Interfaces |
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7 |
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46 |
container_start_page |
25709 |
publishDate |
2015 |
institution |
Swansea University |
issn |
1944-8244 1944-8252 |
doi_str_mv |
10.1021/acsami.5b06897 |
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Faculty of Science and Engineering |
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Faculty of Science and Engineering |
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Faculty of Science and Engineering |
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School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering |
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description |
The transition metal dichalcogenides (TMDs) are two-dimensional layered solids with van der Waals bonding between layers. We calculate their Schottky barrier heights (SBHs) using supercell models and density functional theory. It is found that the SBHs without defects are quite strongly pinned, with a pinning factor S of about S = 0.3, a similar value for both top and edge contact geometries. This arises because there is direct bonding between the contact metal atoms and the TMD chalcogen atoms, for both top and edge contact geometries, despite the weak interlayer bonding in the isolated materials. The Schottky barriers largely follow the metal induced gap state (MIGS) model, like those of three-dimensional semiconductors, despite the bonding in the TMDs being largely constrained within the layers. The pinning energies are found to be lower in the gap for edge contact geometries than for top contact geometries, which might be used to obtain p-type contacts on MoS2. |
published_date |
2015-11-02T03:39:19Z |
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1763751765745860608 |
score |
11.035349 |