Title of article :
First principles studies of neutral vacancies diffusion in SiC
Author/Authors :
R. Rurali، نويسنده , , R. and Hernلndez، نويسنده , , E. and Godignon، نويسنده , , P. and Rebollo، نويسنده , , J. and Ordejَn، نويسنده , , P.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Abstract :
In this paper we address the issue of C and Si vacancy diffusion in SiC by means of first principles electronic structure calculations. Besides a thorough analysis of the stable configurations involved, we characterize the minimum energy paths and the corresponding barriers of all the relevant diffusion mechanisms.
Keywords :
diffusion , Intrinsic defects , SiC , DFT
Journal title :
Computational Materials Science
Journal title :
Computational Materials Science
