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Schottky barrier height at metal/ZnO interface: A first-principles study

Jiaqi Chen, Zhaofu Zhang, Yuzheng Guo Orcid Logo, John Robertson

Microelectronic Engineering, Volume: 216, Start page: 111056

Swansea University Author: Yuzheng Guo Orcid Logo

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DOI (Published version): 10.1016/j.mee.2019.111056

Abstract

The Schottky barrier heights (SBHs) of various metals on ZnO are investigated by first-principles calculation. The SBHs decrease linearly with increasing metal work function, which follows the prediction of the metal-induced gap states (MIGS) model. The pinning factor S is calculated to be 0.56 whic...

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Published in: Microelectronic Engineering
ISSN: 0167-9317
Published: 2019
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URI: https://cronfa.swan.ac.uk/Record/cronfa51102
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first_indexed 2019-07-17T15:37:31Z
last_indexed 2019-07-26T20:00:24Z
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spelling 2019-07-26T13:35:34.3160002 v2 51102 2019-07-17 Schottky barrier height at metal/ZnO interface: A first-principles study 2c285ab01f88f7ecb25a3aacabee52ea 0000-0003-2656-0340 Yuzheng Guo Yuzheng Guo true false 2019-07-17 GENG The Schottky barrier heights (SBHs) of various metals on ZnO are investigated by first-principles calculation. The SBHs decrease linearly with increasing metal work function, which follows the prediction of the metal-induced gap states (MIGS) model. The pinning factor S is calculated to be 0.56 which indicates moderate pinning effect. A closer look at the interfacial electronic structure shows the dominant rule of oxygen in forming the MIGS. To extend the concept of MIGS model to the band alignment between semiconductors, a calculation is performed on Si/ZnO interface. Si is found to have a type-II band alignment with ZnO, the conduction band offset (CBO) and valence band offset (VBO) are calculated to be 0.5 eV and 2.5 eV respectively. The results agree with the experimental values and the predicted values based on the charge neutrality level (CNL) method. Journal Article Microelectronic Engineering 216 111056 0167-9317 Schottky barrier heights, Metal/ZnO interface, Si/ZnO interface, Band alignment, First-principles calculation 15 8 2019 2019-08-15 10.1016/j.mee.2019.111056 COLLEGE NANME General Engineering COLLEGE CODE GENG Swansea University 2019-07-26T13:35:34.3160002 2019-07-17T09:39:45.4689378 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering Jiaqi Chen 1 Zhaofu Zhang 2 Yuzheng Guo 0000-0003-2656-0340 3 John Robertson 4 0051102-26072019133349.pdf chen2019.pdf 2019-07-26T13:33:49.0230000 Output 836342 application/pdf Accepted Manuscript true 2020-07-04T00:00:00.0000000 true eng
title Schottky barrier height at metal/ZnO interface: A first-principles study
spellingShingle Schottky barrier height at metal/ZnO interface: A first-principles study
Yuzheng Guo
title_short Schottky barrier height at metal/ZnO interface: A first-principles study
title_full Schottky barrier height at metal/ZnO interface: A first-principles study
title_fullStr Schottky barrier height at metal/ZnO interface: A first-principles study
title_full_unstemmed Schottky barrier height at metal/ZnO interface: A first-principles study
title_sort Schottky barrier height at metal/ZnO interface: A first-principles study
author_id_str_mv 2c285ab01f88f7ecb25a3aacabee52ea
author_id_fullname_str_mv 2c285ab01f88f7ecb25a3aacabee52ea_***_Yuzheng Guo
author Yuzheng Guo
author2 Jiaqi Chen
Zhaofu Zhang
Yuzheng Guo
John Robertson
format Journal article
container_title Microelectronic Engineering
container_volume 216
container_start_page 111056
publishDate 2019
institution Swansea University
issn 0167-9317
doi_str_mv 10.1016/j.mee.2019.111056
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 The Schottky barrier heights (SBHs) of various metals on ZnO are investigated by first-principles calculation. The SBHs decrease linearly with increasing metal work function, which follows the prediction of the metal-induced gap states (MIGS) model. The pinning factor S is calculated to be 0.56 which indicates moderate pinning effect. A closer look at the interfacial electronic structure shows the dominant rule of oxygen in forming the MIGS. To extend the concept of MIGS model to the band alignment between semiconductors, a calculation is performed on Si/ZnO interface. Si is found to have a type-II band alignment with ZnO, the conduction band offset (CBO) and valence band offset (VBO) are calculated to be 0.5 eV and 2.5 eV respectively. The results agree with the experimental values and the predicted values based on the charge neutrality level (CNL) method.
published_date 2019-08-15T04:02:52Z
_version_ 1763753247288328192
score 11.036706

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