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The Role of Preparation Conditions on the SIC(001) Surface Reconstructions: A First Principles Study

Published online by Cambridge University Press:  10 February 2011

Giulia Galli ,
Alessandra Catellani  and
Francois Gygi
Giulia Galli
Affiliation:
Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), Ecublens, 1015 Lausanne, Switzerland, galli@irrma.epfl.ch
Alessandra Catellani
Affiliation:
CNR-MASPEC, Via Chiavari, 18/A, 1–43100 Parma, Italy
Francois Gygi
Affiliation:
Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), Ecublens, 1015 Lausanne, Switzerland, galli@irrma.epfl.ch
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Abstract

Using first principles molecular dynamics, we have studied the reconstructions and thermal properties of the (001) surfaces of cubic SiC. Our calculations show that C-terminated surfaces can have different reconstructions, depending on preparation conditions and thermal treatment, and that the Si-terminated surface geometry can be substantially affected by the presence of stress. Our findings allow us to interpret recent experiments about (001) SiC surfaces, in particular STM images.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 492: Symposium S – Microscopic Simulation of Interfacial Phenomena in Solids… , 1997 , 59
Copyright
Copyright © Materials Research Society 1998

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References

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