Session V9 - Advanced Solid State Electronic Cooling and Power Generation I.
FOCUS session, Thursday morning, March 15
Room 201, Washington State Convention Center
We have theoretically studied the effect of introducing mixed metal guests into a Ge (Ge_136) and Si (Si_136 type-II clathrate framework on their electronic and vibrational properties. Ab initio density functional theory with a plane wave basis and a pseudopotential has been employed for this purpose. We have investigated the rattling vibrational modes induced by the guest atoms. We are searching for low-lying vibrational modes in the Raman and infrared vibrational spectrum. The results will be compared with those of framework Type-I clathrate frameworks which have been investigated previously.