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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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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 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.
Keywords: AlN polar surface, Schottky barrier heights, interface vacancy, first-principles calculation
College: Faculty of Science and Engineering
Start Page: 144650

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