A series of Ab-initio molecular simulations oriented to get a first qualitative picture have been performed on amorphous GeO 2 at room temperature, submitted to increasing hydrostatic pressure up to 20GPa and released back to 0GPa. Unlike for pure Ge, simulations for GeO 2 show no pressure–induced low-density to high–density phase transition (LDA-HDA) in this pressures range: a result in line with preliminary experimental measurements that encourages for further investigations

Ab initio simulations of amorphous GeO2 under pressure: a first search for phase transitions

Mancini, Giorgio;Celino, Massimo;Di Cicco, Andrea;
2019-01-01

Abstract

A series of Ab-initio molecular simulations oriented to get a first qualitative picture have been performed on amorphous GeO 2 at room temperature, submitted to increasing hydrostatic pressure up to 20GPa and released back to 0GPa. Unlike for pure Ge, simulations for GeO 2 show no pressure–induced low-density to high–density phase transition (LDA-HDA) in this pressures range: a result in line with preliminary experimental measurements that encourages for further investigations
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11581/432488
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