Structure and Topology of Phase-Change Telluride Melts

Abstract

The structural properties of a germanium telluride melt GeTe4 are investigated with first principles molecular dynamics simulations. These telluride systems, although different from Ge-rich alloys which are used in phase-change applications, are also potential candidates for such applications. Pair correlation functions and coordination numbers are computed for various temperatures and highlight the fact that the liquid has already some defect octahedral features which are usually found at lower temperatures. A comparison with elemental liquid Te is also provided.