Ab initio computer simulations of non-equilibrium radiation-induced cascades in amorphous Ge2 Sb2 Te5

Journal of Physics. Condensed Matter : an Institute of Physics Journal
Konstantinos KonstantinouStephen R Elliott

Abstract

Ion irradiation corresponds to a process that involves the production of non-equilibrium cascades in the host material, and the atomistic modelling of such events in glasses is challenging. Here, non-equilibrium cascades in amorphous Ge2Sb2Te5 phase-change memory material have been investigated by means of first-principles molecular-dynamics simulations. A stochastic boundary-conditions approach is employed to treat the thermal nature of the cascades and drive the modelled system back to equilibrium in a natural way, while four different initial thermal-spike energies are considered. A comprehensive analysis of the cascade evolution is presented with respect to the kinetic profile and the dynamics of the cascade inside the glass structure. The modelling results show that the instantaneous maximum kinetic energy decays rapidly with time, and that the time-scale of the ballistic phase of the cascade inside the glass model is very short. The quality of the implemented approach is validated through a comparison of the calculated structure factor for the modelled glasses with experimental data from the literature. Analysis of the bonding for all the species in the glass structure highlights particular structural modifications in the...Continue Reading

References

Mar 1, 1985·Physical Review A: General Physics·W G Hoover
May 1, 1995·Physical Review. B, Condensed Matter·B L Holian, R Ravelo
Oct 15, 1996·Physical Review. B, Condensed Matter·J Dong, D A Drabold
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Nov 2, 2007·Nature Materials·Matthias Wuttig, Noboru Yamada
Sep 1, 2009·Chemical Reviews·Simone RaouxDaniele Ielmini
Mar 10, 2011·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Dawid TotonLev Kantorovich
Mar 4, 2009·Journal of Physics. Condensed Matter : an Institute of Physics Journal·G C SossoM Bernasconi
Dec 14, 2011·Journal of Physics. Condensed Matter : an Institute of Physics Journal·J KalikkaT Usuki
Nov 27, 2014·Nanoscale Research Letters·Kiran Prasai, David A Drabold
Nov 10, 2009·Journal of Chemical Theory and Computation·Manuel GuidonJoost VandeVondele
Oct 7, 2016·Physical Chemistry Chemical Physics : PCCP·Konstantinos KonstantinouDorothy M Duffy
Apr 26, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Jack StrandAlexander L Shluger
May 8, 2018·Proceedings of the National Academy of Sciences of the United States of America·Konstantinos KonstantinouStephen R Elliott

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Citations

Jul 13, 2019·Nature Communications·Konstantinos KonstantinouStephen R Elliott

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