1016 A study on structural phase transition and effect of lattice defect of α-quartz-type GeO_2 based on molecular dynamics method

Abstract

A phase transition of perfect crystal of α-quartz-type GeO_2 was found to be 6.0 GPa at 300 K. It was also shown a large volume shrinkage of approximately 12 % due to phase transition. Phase transition pressure of α-quartz-type GeO_2 crystal contained vacancies was decreased with increased of density of vacancies. In case of phase transition of GeO_2 crystal contained dislocation, phase transition was estimated to be 3.7 GPa.