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Density-functional study of adsorption of Co on Si(100)

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journal contribution
posted on 30.11.2015, 14:32 by Andrew P. Horsfield, Steven KennySteven Kenny, Hideaki Fujitani
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.

Funding

Calculations were performed using computational resources made available by the JREI under grant GR/M34454.

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Materials

Published in

PHYSICAL REVIEW B

Volume

64

Issue

24

Pages

? - ? (6)

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.

Publisher

© American Physical Society

Version

AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Publication date

2001

Notes

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

ISSN

1098-0121

Language

en

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