Untitled

Abstract

The structural, electronic, elastic and thermodynamic properties of two cubic perovskites -SrGeO3 and SrZrO3were calculated using the first-principles methods for the pressure range from 0 to 25 GPa. Comparison of the calculated results with other literature data (whether available) yielded good agreement. Dependencies of all calculated propertiessuch as lattice constants, relative change of the unit cell volume, elastic constants and Debye temperatureon pressure were obtained, which enables reliable estimations of all these parameters for any value of hydrostatic pressure in the studied range.