Ab Initio Investigations of Threshold Displacement Energies and Stability of Associated Defects in Cubic Silicon Carbide
2005 ◽
Vol 108-109
◽
pp. 671-676
Keyword(s):
Using first principles molecular dynamics simulations, we have recently determined the threshold displacement energies and the associated created defects in cubic silicon carbide. Contrary to previous studies using classical molecular dynamics, we found values close to the experimental consensus, and also created defects in good agreement with recent works on interstitials stability in silicon carbide. We have also investigated the stability of several Frenkel pairs, using transition state theory and constrained path calculations.
2007 ◽
Vol 131-133
◽
pp. 247-252
2009 ◽
Vol 60-61
◽
pp. 315-319
◽
2007 ◽
Vol 599
(2)
◽
pp. 376
2012 ◽
Vol 3
◽
pp. 301-311
◽
2006 ◽
Vol 590
(2)
◽
pp. 138-144
◽
2003 ◽
Vol 69
(9)
◽
pp. 1332-1336
2020 ◽