Vibrational origin of the thermal stability in the high-performance piezoelectric material GaAsO4

Theoretical calculations and experiments show the absence of libration modes of the tetrahedra in GaAsO(4), the most α-quartz-type distorted material. In consequence, the degree of dynamic disorder at high temperature is very low, making GaAsO(4) of high interest for high-temperature applications. This paper shows the importance of the theoretical calculations of vibration in oxide materials. In this way, it could be possible to extend this result to other materials and predict the thermal stability of the materials and their potential applications at high temperature.