Structural fingerprints of electronic change in the phase-change-material: Ge2 Sb2 Te5

B. Cai; D. A. Drabold; S. R. Elliott

doi:10.1063/1.3516039

Structural fingerprints of electronic change in the phase-change-material: Ge₂ Sb₂ Te₅

B. Cai, D. A. Drabold, S. R. Elliott

Division of Medical Physics

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

In this paper, we generate a-Ge₂ Sb₂ Te₅ models via ab initio molecular dynamic simulations, track the dynamic changes of network at 500 K, and correlate the structural changes in the course of the simulation with changes in electronic structure. Considerable fluctuations of the electronic gap are observed even for a model in equilibrium. We compare our study to experiments and other simulations.

Original language	English
Article number	191908
Journal	Applied Physics Letters
Volume	97
Issue number	19
DOIs	https://doi.org/10.1063/1.3516039
State	Published - Nov 8 2010

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abstract = "In this paper, we generate a-Ge2 Sb2 Te5 models via ab initio molecular dynamic simulations, track the dynamic changes of network at 500 K, and correlate the structural changes in the course of the simulation with changes in electronic structure. Considerable fluctuations of the electronic gap are observed even for a model in equilibrium. We compare our study to experiments and other simulations.",

author = "B. Cai and Drabold, {D. A.} and Elliott, {S. R.}",

note = "Funding Information: B.C. would like to thank Dr. J. Hegedus for an introduction to this area. This work was partly supported by the U.S. NSF under Grant Nos. DMR-09033225 and DMR-0844014.",

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N2 - In this paper, we generate a-Ge2 Sb2 Te5 models via ab initio molecular dynamic simulations, track the dynamic changes of network at 500 K, and correlate the structural changes in the course of the simulation with changes in electronic structure. Considerable fluctuations of the electronic gap are observed even for a model in equilibrium. We compare our study to experiments and other simulations.

AB - In this paper, we generate a-Ge2 Sb2 Te5 models via ab initio molecular dynamic simulations, track the dynamic changes of network at 500 K, and correlate the structural changes in the course of the simulation with changes in electronic structure. Considerable fluctuations of the electronic gap are observed even for a model in equilibrium. We compare our study to experiments and other simulations.

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Structural fingerprints of electronic change in the phase-change-material: Ge₂ Sb₂ Te₅

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