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Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2

Haichang Lu, Yuzheng Guo Orcid Logo, John Robertson

Applied Physics Letters, Volume: 112, Issue: 6, Start page: 062105

Swansea University Author: Yuzheng Guo Orcid Logo

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DOI (Published version): 10.1063/1.5008959

Abstract

Although monolayer HfS2 and SnS2 do not have a direct bandgap like MoS2, they have much higher carrier mobilities. Their band offsets are favorable for use with WSe2 in tunnel field effect transistors. Here, we study the effective masses, intrinsic defects, and substitutional dopants of these dichal...

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Published in: Applied Physics Letters
ISSN: 0003-6951 1077-3118
Published: 2018
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URI: https://cronfa.swan.ac.uk/Record/cronfa38780
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first_indexed 2018-02-19T14:33:21Z
last_indexed 2018-04-23T13:57:40Z
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spelling 2018-04-23T12:13:14.2633949 v2 38780 2018-02-19 Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2 2c285ab01f88f7ecb25a3aacabee52ea 0000-0003-2656-0340 Yuzheng Guo Yuzheng Guo true false 2018-02-19 GENG Although monolayer HfS2 and SnS2 do not have a direct bandgap like MoS2, they have much higher carrier mobilities. Their band offsets are favorable for use with WSe2 in tunnel field effect transistors. Here, we study the effective masses, intrinsic defects, and substitutional dopants of these dichalcogenides. We find that HfS2 has surprisingly small effective masses for a compound that might appear partly ionic. The S vacancy in HfS2 is found to be a shallow donor while that in SnS2 is a deep donor. Substitutional dopants at the S site are found to be shallow. This contrasts with MoS2 where donors and acceptors are not always shallow or with black phosphorus where dopants can reconstruct into deep non-doping configurations. It is pointed out that HfS2 is more favorable than MoS2 for semiconductor processing because it has the more convenient CVD precursors developed for growing HfO2. Journal Article Applied Physics Letters 112 6 062105 0003-6951 1077-3118 Semiconductors, Metalloids, Band structure, Electronic transport, Chemical kinetics 31 12 2018 2018-12-31 10.1063/1.5008959 COLLEGE NANME General Engineering COLLEGE CODE GENG Swansea University 2018-04-23T12:13:14.2633949 2018-02-19T12:29:10.6344370 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering Haichang Lu 1 Yuzheng Guo 0000-0003-2656-0340 2 John Robertson 3 0038780-20022018110914.pdf lu2018.pdf 2018-02-20T11:09:14.3830000 Output 1277962 application/pdf Accepted Manuscript true 2018-02-20T00:00:00.0000000 true eng 0038780-23042018121157.pdf LuBandEdgeStates2018.pdf 2018-04-23T12:11:57.5430000 Output 3142309 application/pdf Version of Record true 2019-02-08T00:00:00.0000000 true eng
title Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2
spellingShingle Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2
Yuzheng Guo
title_short Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2
title_full Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2
title_fullStr Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2
title_full_unstemmed Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2
title_sort Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2
author_id_str_mv 2c285ab01f88f7ecb25a3aacabee52ea
author_id_fullname_str_mv 2c285ab01f88f7ecb25a3aacabee52ea_***_Yuzheng Guo
author Yuzheng Guo
author2 Haichang Lu
Yuzheng Guo
John Robertson
format Journal article
container_title Applied Physics Letters
container_volume 112
container_issue 6
container_start_page 062105
publishDate 2018
institution Swansea University
issn 0003-6951
1077-3118
doi_str_mv 10.1063/1.5008959
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 - General Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering
document_store_str 1
active_str 0
description Although monolayer HfS2 and SnS2 do not have a direct bandgap like MoS2, they have much higher carrier mobilities. Their band offsets are favorable for use with WSe2 in tunnel field effect transistors. Here, we study the effective masses, intrinsic defects, and substitutional dopants of these dichalcogenides. We find that HfS2 has surprisingly small effective masses for a compound that might appear partly ionic. The S vacancy in HfS2 is found to be a shallow donor while that in SnS2 is a deep donor. Substitutional dopants at the S site are found to be shallow. This contrasts with MoS2 where donors and acceptors are not always shallow or with black phosphorus where dopants can reconstruct into deep non-doping configurations. It is pointed out that HfS2 is more favorable than MoS2 for semiconductor processing because it has the more convenient CVD precursors developed for growing HfO2.
published_date 2018-12-31T03:49:10Z
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score 11.012678

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