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Density-functional study of adsorption of Co on Si(100)
journal contribution
posted on 2015-11-30, 14:32 authored by Andrew P. Horsfield, Steven KennySteven Kenny, Hideaki FujitaniWe 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 BVolume
64Issue
24Pages
? - ? (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 SocietyVersion
- 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
2001Notes
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.64.245332ISSN
1098-0121Publisher version
Language
- en