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First-principles study of structural and optical properties contrast for liquid (GeTe)x(x = 1,2,3)-Sb2Te3 compounds

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Abstract Ge-Sb-Te compounds played an important role in present nonvolatile optical and electrical storages. In our studies, First-principles molecular dynamic methods were used to simulate the amorphization processes of (GeTe)x(x = 1,2,3)-Sb2Te3… Click to show full abstract

Abstract Ge-Sb-Te compounds played an important role in present nonvolatile optical and electrical storages. In our studies, First-principles molecular dynamic methods were used to simulate the amorphization processes of (GeTe)x(x = 1,2,3)-Sb2Te3 compounds and the liquid states which consisted of crystalline and amorphous phase were obtained, then the effects of different ratio of (GeTe) on the properties of Ge-Sb-Te compounds were studied. The calculated results of pair correlation function, coordination number and compositional disorder number showed that Ge2Sb2Te5 has better stability among the three liquids. By analysis of the complex dielectric function, absorption and conductivity, Ge2Sb2Te5 has lower turn-on voltage and lower RESET current compared with Ge1Sb2Te4 and Ge3Sb2Te6. The present results are helpful to understand the multi- level data storage capabilities based on the liquid states.

Keywords: principles study; study structural; gete sb2te3; sb2te3 compounds; first principles

Journal Title: Journal of Non-crystalline Solids
Year Published: 2020

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