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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/19685

Title: Density-functional study of adsorption of Co on Si(100)
Authors: Horsfield, Andrew P
Kenny, Steven D.
Fujitani, Hideaki
Issue Date: 2001
Publisher: © American Physical Society
Citation: HORSFIELD, A.P., KENNY, S.D. and FUJITANI, H., 2001. Density-functional study of adsorption of Co on Si(100). Physical Review B, 64, 245332.
Abstract: We have studied the stable sites for Co both on the surface of Si(100) and subsurface by using ab initio methods. We show that the most stable surface site for Co is situated in the dimer trenches (the low site). The subsurface sites that we study are all found to be more stable than the most stable surface site. The most stable subsurface site is the under-dimer site. The most stable site of all is, however, the dimer vacancy site formed by removing the dimer above the cobalt in the under-dimer site.
Description: This paper was accepted for publication in the journal Physical Review B and the definitive published version is available at http://dx.doi.org/10.1103/PhysRevB.64.245332
Sponsor: Calculations were performed using computational resources made available by the JREI under grant GR/M34454.
Version: Accepted for publication
DOI: 10.1103/PhysRevB.64.245332
URI: https://dspace.lboro.ac.uk/2134/19685
Publisher Link: http://dx.doi.org/10.1103/PhysRevB.64.245332
ISSN: 1098-0121
Appears in Collections:Published Articles (Materials)

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