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Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO

Hongfei Li, Yuzheng Guo Orcid Logo, John Robertson

Physical Review Materials, Volume: 2, Issue: 7

Swansea University Author: Yuzheng Guo Orcid Logo

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DOI (Published version): 10.1103/PhysRevMaterials.2.074601

Abstract

Hydrogen is known to be present as an impurity in amorphous oxide semiconductors at the 0.1% level. The behavior of hydrogen and oxygen vacancies in amorphous In-Ga-Zn-O is studied using density functional supercell calculations. We show that the hydrogens pair up at oxygen vacancies in the amorphou...

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Published in: Physical Review Materials
ISSN: 2475-9953
Published: 2018
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URI: https://cronfa.swan.ac.uk/Record/cronfa40917
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first_indexed 2018-07-03T13:45:37Z
last_indexed 2018-09-10T18:54:25Z
id cronfa40917
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spelling 2018-09-10T15:37:52.3559173 v2 40917 2018-07-03 Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO 2c285ab01f88f7ecb25a3aacabee52ea 0000-0003-2656-0340 Yuzheng Guo Yuzheng Guo true false 2018-07-03 GENG Hydrogen is known to be present as an impurity in amorphous oxide semiconductors at the 0.1% level. The behavior of hydrogen and oxygen vacancies in amorphous In-Ga-Zn-O is studied using density functional supercell calculations. We show that the hydrogens pair up at oxygen vacancies in the amorphous network, where they form metal-H-metal bridge bonds. These bonds are shown to create filled defect gap states lying just above the valence band edge, infrared modes at about 1400 and 1520cm−1, and they are shown to give a consistent mechanism to explain the negative bias illumination stress instability found in oxide semiconductors such as In-Ga-Zn-O (IGZO). Journal Article Physical Review Materials 2 7 2475-9953 31 12 2018 2018-12-31 10.1103/PhysRevMaterials.2.074601 COLLEGE NANME General Engineering COLLEGE CODE GENG Swansea University 2018-09-10T15:37:52.3559173 2018-07-03T12:51:15.6961478 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering Hongfei Li 1 Yuzheng Guo 0000-0003-2656-0340 2 John Robertson 3 0040917-03072018125127.pdf li2018v2.pdf 2018-07-03T12:51:27.6470000 Output 1466905 application/pdf Accepted Manuscript true 2018-07-25T00:00:00.0000000 true eng
title Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO
spellingShingle Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO
Yuzheng Guo
title_short Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO
title_full Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO
title_fullStr Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO
title_full_unstemmed Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO
title_sort Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO
author_id_str_mv 2c285ab01f88f7ecb25a3aacabee52ea
author_id_fullname_str_mv 2c285ab01f88f7ecb25a3aacabee52ea_***_Yuzheng Guo
author Yuzheng Guo
author2 Hongfei Li
Yuzheng Guo
John Robertson
format Journal article
container_title Physical Review Materials
container_volume 2
container_issue 7
publishDate 2018
institution Swansea University
issn 2475-9953
doi_str_mv 10.1103/PhysRevMaterials.2.074601
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
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description Hydrogen is known to be present as an impurity in amorphous oxide semiconductors at the 0.1% level. The behavior of hydrogen and oxygen vacancies in amorphous In-Ga-Zn-O is studied using density functional supercell calculations. We show that the hydrogens pair up at oxygen vacancies in the amorphous network, where they form metal-H-metal bridge bonds. These bonds are shown to create filled defect gap states lying just above the valence band edge, infrared modes at about 1400 and 1520cm−1, and they are shown to give a consistent mechanism to explain the negative bias illumination stress instability found in oxide semiconductors such as In-Ga-Zn-O (IGZO).
published_date 2018-12-31T03:52:08Z
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score 11.036706

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