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