Ab initio calculation of elastic constants of SiO2 stishovite and α-quartz

摘要: We present theoretical ab initio results for the elastic constants of two different phases SiO2, stishovite and α-quartz using plane-wave-pseudopotential method. Our calculated values are in very good agreement with experimental data as well some existing model calculations. SiO2 is one most abundant minerals earth’s mantle. Therefore, knowledge its behavior will be important from a seismology point view. sound velocities presented accordingly also those derived experiment.