We employ ab-initio molecular dynamics simulations to study the atomic structure of amorphous germanium. The preparation of an amorphous Ge numerical sample is performed by cooling down from the liquid phase. Calculated structural and thermal properties of the amorphous phase result in good agreement with experimental data. This is a necessary step for starting a complete characterization of the pressure effects on the amorphous germanium.

Ab-initio study of amorphous Germanium

Mancini, Giorgio;Celino, Massimo;Di Cicco, Andrea
2014-01-01

Abstract

We employ ab-initio molecular dynamics simulations to study the atomic structure of amorphous germanium. The preparation of an amorphous Ge numerical sample is performed by cooling down from the liquid phase. Calculated structural and thermal properties of the amorphous phase result in good agreement with experimental data. This is a necessary step for starting a complete characterization of the pressure effects on the amorphous germanium.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11581/325581
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