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Band offsets and metal contacts in monolayer black phosphorus

Yuzheng Guo Orcid Logo, John Robertson

Microelectronic Engineering, Volume: 178, Pages: 108 - 111

Swansea University Author: Yuzheng Guo Orcid Logo

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DOI (Published version): 10.1016/j.mee.2017.05.010

Abstract

Black phosphorus(b-P) is a new member of 2D materials for field effect transistor(FET) application due to its atomic monolayer structure and high electron/hole mobility. The FET application requires the knowledge of b-P interface with high-k oxide and metal electrodes. In this work, the band offsets...

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Published in: Microelectronic Engineering
ISSN: 0167-9317
Published: 2017
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URI: https://cronfa.swan.ac.uk/Record/cronfa33643
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first_indexed 2017-05-10T13:01:48Z
last_indexed 2018-02-09T05:22:57Z
id cronfa33643
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spelling 2017-05-26T09:07:33.6967674 v2 33643 2017-05-10 Band offsets and metal contacts in monolayer black phosphorus 2c285ab01f88f7ecb25a3aacabee52ea 0000-0003-2656-0340 Yuzheng Guo Yuzheng Guo true false 2017-05-10 GENG Black phosphorus(b-P) is a new member of 2D materials for field effect transistor(FET) application due to its atomic monolayer structure and high electron/hole mobility. The FET application requires the knowledge of b-P interface with high-k oxide and metal electrodes. In this work, the band offsets for gate insulators such as HfO2 on black phosphorus (b-P) are calculated using density functional theory(DFT). It is confirmed that HfO2 can provide good band alignment for both conduction and valence band. The Schottky barrier heights(SBH) are also calculated for the monolayer and bulk using the supercell model, for the perfect interface with no defects in the b-P. A strong p-type Fermi level pinning has been observed due to strong metal-P bonding. Journal Article Microelectronic Engineering 178 108 111 0167-9317 Band offset; Schottky barrier height; Black phosphorous; DFT; Metal contact; TFET 31 12 2017 2017-12-31 10.1016/j.mee.2017.05.010 COLLEGE NANME General Engineering COLLEGE CODE GENG Swansea University 2017-05-26T09:07:33.6967674 2017-05-10T11:24:02.5671515 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering Yuzheng Guo 0000-0003-2656-0340 1 John Robertson 2 0033643-10052017112608.pdf guo2017.pdf 2017-05-10T11:26:08.1800000 Output 709518 application/pdf Accepted Manuscript true 2018-05-10T00:00:00.0000000 false eng
title Band offsets and metal contacts in monolayer black phosphorus
spellingShingle Band offsets and metal contacts in monolayer black phosphorus
Yuzheng Guo
title_short Band offsets and metal contacts in monolayer black phosphorus
title_full Band offsets and metal contacts in monolayer black phosphorus
title_fullStr Band offsets and metal contacts in monolayer black phosphorus
title_full_unstemmed Band offsets and metal contacts in monolayer black phosphorus
title_sort Band offsets and metal contacts in monolayer black phosphorus
author_id_str_mv 2c285ab01f88f7ecb25a3aacabee52ea
author_id_fullname_str_mv 2c285ab01f88f7ecb25a3aacabee52ea_***_Yuzheng Guo
author Yuzheng Guo
author2 Yuzheng Guo
John Robertson
format Journal article
container_title Microelectronic Engineering
container_volume 178
container_start_page 108
publishDate 2017
institution Swansea University
issn 0167-9317
doi_str_mv 10.1016/j.mee.2017.05.010
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 Black phosphorus(b-P) is a new member of 2D materials for field effect transistor(FET) application due to its atomic monolayer structure and high electron/hole mobility. The FET application requires the knowledge of b-P interface with high-k oxide and metal electrodes. In this work, the band offsets for gate insulators such as HfO2 on black phosphorus (b-P) are calculated using density functional theory(DFT). It is confirmed that HfO2 can provide good band alignment for both conduction and valence band. The Schottky barrier heights(SBH) are also calculated for the monolayer and bulk using the supercell model, for the perfect interface with no defects in the b-P. A strong p-type Fermi level pinning has been observed due to strong metal-P bonding.
published_date 2017-12-31T03:41:39Z
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score 11.012678

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