Simulations of Surface Transfer Doping of Hydrogenated Diamond by MoO3 Metal Oxide

McGhee, J., Moran, D. A. and Georgiev, V. P. (2019) Simulations of Surface Transfer Doping of Hydrogenated Diamond by MoO3 Metal Oxide. In: 2019 Joint International EUROSOI Workshop and International Conference on Ultimate Integration on Silicon (EUROSOI-ULIS), Grenoble, France, 01-03 Apr 2019, ISBN 9781728116587 (doi:10.1109/EUROSOI-ULIS45800.2019.9041887)

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Abstract

In this work we investigate the surface transfer doping effect induced between hydrogen terminated diamond and Moo3. We simulated the interface of (100) MoO 3 surface and hydrogen terminated (100) diamond surface using fist principle methods such as Density Functional Theory (DFT). DFT simulation allowed us to calculate the band structure and charge transfer between the MoO 3 and the diamond materials. Analysis of the band structures and density of states shows that the Moo3is an electron acceptor and injects holes into the diamond structure.

Item Type:Conference Proceedings
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:McGhee, Mr Joseph and Moran, Dr David and Georgiev, Dr Vihar
Authors: McGhee, J., Moran, D. A., and Georgiev, V. P.
College/School:College of Science and Engineering > School of Engineering
College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering
ISSN:2472-9132
ISBN:9781728116587
Published Online:19 March 2020
Copyright Holders:Copyright © 2019 IEEE
First Published:First published in 2019 Joint International EUROSOI Workshop and International Conference on Ultimate Integration on Silicon (EUROSOI-ULIS)
Publisher Policy:Reproduced in accordance with the publisher copyright policy
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