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

Da Silva, Cesar R. S.; Justo, João F.; Pereyra, Inés
June 2004
Applied Physics Letters;6/14/2004, Vol. 84 Issue 24, p4845
Academic Journal
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. © 2004 American Institute of Physics.


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