[Pw_forum] phonon & temperature
anvari_meh at physics.iust.ac.ir
Sun Nov 15 05:40:13 CET 2009
First of all thanks a lot because of your answer. But, I have to make my
question clear.As you said for phonon calculations, external potential
depends on ionic displacements, and these diplacements are enough small to
provide harmonic conditions (I agree with this part). So, phonons can be
calculated and it means tempreture isn't used directly. In. addition the
source of these displacements in crystals is temperature, and it sometimes
causes that crystal doesn't have smooth surface for example in room
temperature. now, I want to know that can I say that the calculations
consist of this surface flactuations?
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