Based on ab initio molecular-dynamics simulations, we generated models of liquid and amorphous Sb2 Te3 of interest for applications as phase change material in optical and electronic data storage. The local geometries of Sb and Te atoms in a -Sb2 Te3 are similar to that found in the extensively studied Ge2 Sb2 Te5 and GeTe phase change materials already exploited for nonvolatile memory applications. Analysis of the vibrational properties and electronic structure of a -Sb2 Te3 is presented and compared to the crystalline counterparts. © 2010 The American Physical Society.
Caravati, S., Bernasconi, M., Parrinello, M. (2010). First-principles study of liquid and amorphous Sb2Te3. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 81(1), 014201 [10.1103/PhysRevB.81.014201].
First-principles study of liquid and amorphous Sb2Te3
BERNASCONI, MARCO;
2010
Abstract
Based on ab initio molecular-dynamics simulations, we generated models of liquid and amorphous Sb2 Te3 of interest for applications as phase change material in optical and electronic data storage. The local geometries of Sb and Te atoms in a -Sb2 Te3 are similar to that found in the extensively studied Ge2 Sb2 Te5 and GeTe phase change materials already exploited for nonvolatile memory applications. Analysis of the vibrational properties and electronic structure of a -Sb2 Te3 is presented and compared to the crystalline counterparts. © 2010 The American Physical Society.
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