
Elasticity and Raman and infrared spectra of MgAl2O4 spinel from density functional perturbation theory
Keywords: نظریه چگالی; Spinel; MgAl2O4; Post-spinel; Calcium titanate; Calcium ferrite; Elasticity; Raman; Spectroscopy; Density-functional theory; Density functional perturbation theory; Lattice dynamics; Ab initio; ABINIT