High-Pressure Raman Study of Ba Doped Silicon Clathrate

Abstract

Vibrational properties of Ba doped Si clathrate are investigated at high pressures up to 20 GPa by Raman spectroscopy. Vibrations related with Ba encaged in the Si cages are observed below 100 cm(-1) by low-frequency Raman measurements of Ba8Si46 and Ba6.6Si46 clathrates. The high-pressure Raman spectra obtained for both compression and decompression processes reveal a new phase transition at 7 GPa, and the reversibility of the phase transition at 15 GPa. We investigate the mechanisms of these phase transitions, the interaction between the guest and host frame, and the volume dependence of the vibrational modes.