A study of pressure-induced polymorphism in liquid GeO2

摘要

Pressure-induced polymorphism in liquid GeO2 has been investigated by a molecular dynamic model with 1998 atoms and Oeffner-Elliot potential. The simulation reveals that liquid GeO2 is made up of the species GeOx with fraction depending on density. Here x = 4, 5 and 6. This viewpoint is supported by the fact that the density, the oxygen-connectivity and the volume of void could be expressed as a linear function of the GeOx fractions. The structural change that occurs upon compression is analysed through both atom- and void-species and discussed here.