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Impact of the interface vacancy on Schottky barrier height for Au/AlN polar interfaces

Hailing Guo, Zhaofu Zhang, Yuzheng Guo Orcid Logo, Zhibin Gao, Ruisheng Zheng, Honglei Wu

Applied Surface Science, Volume: 505, Start page: 144650

Swansea University Author: Yuzheng Guo Orcid Logo

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DOI (Published version): 10.1016/j.apsusc.2019.144650

Abstract

Schottky barrier heights (SBHs) at the Au/AlN interface are systemically studied by density functional calculations. Two types of interfaces, including Al- and N-polar interfaces, are constructed to examine the relationship between the SBH dependence on the interfacial atom species. An in-depth expl...

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Published in: Applied Surface Science
ISSN: 0169-4332
Published: Elsevier BV 2020
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URI: https://cronfa.swan.ac.uk/Record/cronfa52815
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first_indexed 2019-11-21T13:15:19Z
last_indexed 2023-01-11T14:30:08Z
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spelling 2022-11-16T13:46:15.9670568 v2 52815 2019-11-21 Impact of the interface vacancy on Schottky barrier height for Au/AlN polar interfaces 2c285ab01f88f7ecb25a3aacabee52ea 0000-0003-2656-0340 Yuzheng Guo Yuzheng Guo true false 2019-11-21 GENG Schottky barrier heights (SBHs) at the Au/AlN interface are systemically studied by density functional calculations. Two types of interfaces, including Al- and N-polar interfaces, are constructed to examine the relationship between the SBH dependence on the interfacial atom species. An in-depth exploration is conducted by introducing interfacial aluminum vacancy or nitride vacancy. The results show that the calculated p-type SBH of the Al-polar interface (2.30 eV) is higher than that of the N-polar interface (1.23 eV). Results also show that the SBH of the interface with Al or N vacancies would be higher. More obvious metal-induced gap states (MIGS) can be observed after the introduction of interfacial vacancy site, leading to a stronger Fermi-level pinning at the contact. The derived SBHs are within the reported measurement range. The findings provide an insightful hint for AlN-based devices where Schottky contact matters. Journal Article Applied Surface Science 505 144650 Elsevier BV 0169-4332 AlN polar surface, Schottky barrier heights, interface vacancy, first-principles calculation 1 3 2020 2020-03-01 10.1016/j.apsusc.2019.144650 http://dx.doi.org/10.1016/j.apsusc.2019.144650 COLLEGE NANME General Engineering COLLEGE CODE GENG Swansea University 2022-11-16T13:46:15.9670568 2019-11-21T09:59:47.1337742 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemistry Hailing Guo 1 Zhaofu Zhang 2 Yuzheng Guo 0000-0003-2656-0340 3 Zhibin Gao 4 Ruisheng Zheng 5 Honglei Wu 6 52815__15928__ce17cad01f4e4abcac977d30b79006a3.pdf guo2019(3).pdf 2019-11-21T10:02:09.0069254 Output 370439 application/pdf Accepted Manuscript true 2020-11-15T00:00:00.0000000 false © 2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
title Impact of the interface vacancy on Schottky barrier height for Au/AlN polar interfaces
spellingShingle Impact of the interface vacancy on Schottky barrier height for Au/AlN polar interfaces
Yuzheng Guo
title_short Impact of the interface vacancy on Schottky barrier height for Au/AlN polar interfaces
title_full Impact of the interface vacancy on Schottky barrier height for Au/AlN polar interfaces
title_fullStr Impact of the interface vacancy on Schottky barrier height for Au/AlN polar interfaces
title_full_unstemmed Impact of the interface vacancy on Schottky barrier height for Au/AlN polar interfaces
title_sort Impact of the interface vacancy on Schottky barrier height for Au/AlN polar interfaces
author_id_str_mv 2c285ab01f88f7ecb25a3aacabee52ea
author_id_fullname_str_mv 2c285ab01f88f7ecb25a3aacabee52ea_***_Yuzheng Guo
author Yuzheng Guo
author2 Hailing Guo
Zhaofu Zhang
Yuzheng Guo
Zhibin Gao
Ruisheng Zheng
Honglei Wu
format Journal article
container_title Applied Surface Science
container_volume 505
container_start_page 144650
publishDate 2020
institution Swansea University
issn 0169-4332
doi_str_mv 10.1016/j.apsusc.2019.144650
publisher Elsevier BV
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 Engineering and Applied Sciences - Chemistry{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemistry
url http://dx.doi.org/10.1016/j.apsusc.2019.144650
document_store_str 1
active_str 0
description Schottky barrier heights (SBHs) at the Au/AlN interface are systemically studied by density functional calculations. Two types of interfaces, including Al- and N-polar interfaces, are constructed to examine the relationship between the SBH dependence on the interfacial atom species. An in-depth exploration is conducted by introducing interfacial aluminum vacancy or nitride vacancy. The results show that the calculated p-type SBH of the Al-polar interface (2.30 eV) is higher than that of the N-polar interface (1.23 eV). Results also show that the SBH of the interface with Al or N vacancies would be higher. More obvious metal-induced gap states (MIGS) can be observed after the introduction of interfacial vacancy site, leading to a stronger Fermi-level pinning at the contact. The derived SBHs are within the reported measurement range. The findings provide an insightful hint for AlN-based devices where Schottky contact matters.
published_date 2020-03-01T04:05:25Z
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score 11.012678

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