Ab initio simulation of resistive memory based on GeTe–Sb2Te3 alloys

Abstract

Using the methods of the theory of the electron density functional and the pseudopotential, the characteristics of Sb2GexTe3-x materials (x = 0, 1, 2) were obtained from the first principles, which can act as a PCRAM working layer. The spatial distribution of valence electron density, electron state density, band gap width for these materials is calculated. The difference in the electron density distribution, the nature of chemical bonds in the crystal, the organization of the band structure of materials, and the conductive properties for Sb2Te3, Sb2GeTe2, and Sb2Ge2Te materials were studied. From the distribution of electron density, conclusions are drawn about the nature of interatomic bonds.