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Please use this identifier to cite or link to this item: http://hdl.handle.net/10119/15355

Title: Adhesion of electrodes on diamond (111) surface: A DFT study
Authors: Ichibha, Tom
Hongo, Kenta
Motochi, I.
Makau, N.W.
Amolo, G.O.
Maezono, Ryo
Keywords: electrode
power device
surface termination
Issue Date: 2017-12-13
Publisher: Elsevier
Magazine name: Diamond and Related Materials
Volume: 81
Start page: 168
End page: 175
DOI: 10.1016/j.diamond.2017.12.008
Abstract: We explore possible candidates for metallic electrodes of diamond semiconductor from twenty kinds of metallic sheets on oxygen- or hydrogen-terminated diamond (111) surface as well as pristine one. Their adhesion strengths and electric characteristics of contacts (i.e. either Ohmic, Schottky or neither) are both considered as figures of merit. The former is measured as work of separation, Wsep, obtained from density functional theory (DFT) simulations. The latter is inferred from DOS (density of states) analysis based on DFT, by checking whether or not the in-gap peak disappears and if there is a large DOS around the Fermi level. We found that (1) Ti on pristine surface has both the best Ohmic contact and fairly strong adhesion and (2) Ti and Cr on oxygenated surfaces have the strongest adhesion with good Schottky contact.
Rights: © 2017 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). Tom Ichibha, Kenta Hongo, I. Motochi, N.W. Makau, G.O. Amolo, Ryo Maezono, Diamond and Related Materials, 81, 2017, 168-175. DOI:10.1016/j.diamond.2017.12.008
URI: http://hdl.handle.net/10119/15355
Material Type: publisher
Appears in Collections:f10-1. 雑誌掲載論文 (Journal Articles)

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