First-principles study of liquid and amorphous InGeTe2

Abstract

Based on ab initio molecular dynamics simulations, we generated models of liquid and amorphous InGeTe${}_{2}$ of interest for applications in electronic data storage. The local geometry of Ge and Te atoms in amorphous InGeTe${}_{2}$ is similar to that found in the extensively studied Ge${}_{2}$Sb${}_{2}$Te${}_{5}$ and GeTe phase-change materials already exploited in nonvolatile memory applications. Atoms of In are instead mostly fourfold coordinated in InTe${}_{4}$ tetrahedra, similar to the elementary units of crystalline InTe and In${}_{2}$Te${}_{5}$.