[Pw_forum] stable phase

bhabya sahoo bdslipun at gmail.com
Thu Sep 22 19:30:43 CEST 2011


i am calulated  b1 to b2 transition of some metal carbide
i found b1 to b2 transition at 140 gpa
from phonon dispersion i found dyanamical unstabilty at 140 gpa b1 phase but
i am also
found b2 is dyanamical unstable(in X and M) directions so i thought there
must be other phase which may be stable at 140 gpa
for this calculated L10 phase which will less enthalpy than b2 at 140 gpa
but also this shows imaginary frequency  in X  direction
so what is the stable phase?







b d sahoo barc
mumbai
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