Vibrational Raman modes of alamosite (PbSiO3): Combining density functional theory calculations and in situ temperature experiments

Abstract

Raman vibrational modes, temperature wavenumber coefficients, and isobaric-mode Grüneisen parameters of the monoclinic alamosite (PbSiO3) have beenpioneeringly characterized by combining density functional theory calculationandin situunpolarized Raman measurements. No structural phase transitionwas observed, corroborating the thermal stability of the monoclinic phase until1000 K