Hi
I am trying to investigate the Debye Temp. of two polymorphs of a non-metal
case, by calculating the heat capacity,?c_v?(using the phonon DOS) at very low
temperatures. But the polymorph with higher Bulk Modulus, gets the lower Debye
Temp. I think, as the acoustic frequencies have more important role in both
stiffness and "c_v in low temps", the higher the Bulk Modulus, may get the
higher Debye temp. Am i right? Is there anything wrong in my calculation?
Thanks for any comment
R. Ebraahimi
Grad. Student
Tehran University
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20091028/9855250f/attachment.htm
