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Effect of different surface coverages of transition metals on the electronic and structural properties of diamond

Tiwari, AK, Goss, JP, Briddon, PR, Wright, NG, Horsfall, AB and Rayson, MJ (2012) Effect of different surface coverages of transition metals on the electronic and structural properties of diamond Physica Status Solidi (A) Applications and Materials Science, 209 (9). pp. 1697-1702.

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Abstract

The presence of adsorbate species on diamond surfaces, even in relatively small concentrations, strongly influences electrical, chemical and structural properties. Despite the technological significance, coverage of diamond by transition metals has received relatively little attention. In this paper, we present the results of density functional calculations examining up to a mono-layer of transition metals on the (001) diamond surface. We find that addition of carbide forming species, such as Ti, results in significantly higher adsorption energies at all surface coverages relative to non-carbide forming species. For monolayer coverage by Cu, and sub-monolayer coverage by Ti, we find a negative electron affinity. We propose that based upon the electron affinities and binding energies, metal-terminated (001) diamond surfaces are promising candidates for electron emission device applications. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Item Type: Article
Authors :
NameEmailORCID
Tiwari, AKUNSPECIFIEDUNSPECIFIED
Goss, JPUNSPECIFIEDUNSPECIFIED
Briddon, PRUNSPECIFIEDUNSPECIFIED
Wright, NGUNSPECIFIEDUNSPECIFIED
Horsfall, ABUNSPECIFIEDUNSPECIFIED
Rayson, MJm.j.rayson@surrey.ac.ukUNSPECIFIED
Date : 1 September 2012
Identification Number : https://doi.org/10.1002/pssa.201200027
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 13:03
Last Modified : 17 May 2017 13:03
URI: http://epubs.surrey.ac.uk/id/eprint/837780

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