Crystalline silicon oxycarbide: Is there a native oxide for silicon carbide?

Crystalline silicon oxycarbide: Is there a native oxide for silicon carbide?

Using variable cell ab initio molecular dynamics, we have investigated hypothetical crystalline phases of silicon oxycarbide (Si1−xCxO2). We found that silicon oxide remains energetically stable with carbon incorporation, and the resulting oxycarbide material has a moderately large bulk modulus. Our...

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Bibliographic Details
Published in:Applied physics letters Vol. 84; no. 24; pp. 4845 - 4847
Main Authors: da Silva, Cesar R. S., Justo, João F., Pereyra, Inés
Format: Journal Article
Language:English
Published: 14-06-2004
Online Access:Get full text
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Summary:Using variable cell ab initio molecular dynamics, we have investigated hypothetical crystalline phases of silicon oxycarbide (Si1−xCxO2). We found that silicon oxide remains energetically stable with carbon incorporation, and the resulting oxycarbide material has a moderately large bulk modulus. Our results also indicated that there are at least two possible, and competing, crystalline phases for the Si2CO6. We discuss the possibility of those phases forming near the SiC/SiO2 interfaces.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.1759373