Producción Científica Profesorado
Ab initio study of the high pressure phases and dynamical properties of ZnAl2O4 and ZnGa2O4
López Moreno, Sinhué
2009
López-Moreno, S., Romero, A. H., Rodríguez-Hernández, P., & Muñoz, A. (2009). Ab initio study of the high-pressure phases and dynamical properties of ZnAl2O4 and ZnGa2O4. High Pressure Research 29, 573-577. doi: 10.1080/08957950903474635
Abstract
In this paper, we report ab initio calculations of the vibrational and structural properties of ZnAl2O4 and ZnGa2O4 spinel structures. The calculated vibrational modes at zero pressure, at the point and the complete phonon spectrum of both compounds are presented. Also, we report our findings for the high-pressure structure dependences of spinel and post-spinel structures.
