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Effect of different surface coverages of transition metals on the electronic and structural properties of diamond
School of Electrical and Electronic Engineering, Newcastle University, Newcastle upon Tyne.
School of Electrical and Electronic Engineering, Newcastle University, Newcastle upon Tyne.
School of Electrical and Electronic Engineering, Newcastle University, Newcastle upon Tyne.
School of Electrical and Electronic Engineering, Newcastle University, Newcastle upon Tyne.
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2012 (English)In: Physica Status Solidi (a) applications and materials science, ISSN 1862-6300, E-ISSN 1862-6319, Vol. 209, no 9, p. 1697-1702Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2012. Vol. 209, no 9, p. 1697-1702
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-15050DOI: 10.1002/pssa.201200027ISI: 000308942100012Scopus ID: 2-s2.0-84866385119Local ID: e8331d56-8c2e-41b4-8f30-59f9c83f3ec4OAI: oai:DiVA.org:ltu-15050DiVA, id: diva2:988023
Note
Validerad; 2012; 20120810 (andbra)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-07-10Bibliographically approved

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Rayson, Mark

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