[Pw_forum] About Debye Temp.

[Reza Ebraahimi]

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


      
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