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Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials
Open accessAbstract
Chalcogenide alloys are materials of interest for optical recording and nonvolatile memories. We perform ab initio molecular dynamics simulations aiming at shading light onto the structure of amorphous Ge2Sb2Te5 (GST), the prototypical material in this class. First principles simulations show that amorphous GST obtained by quenching from the liquid phase displays two types of short range order. One third of Ge atoms are in a tetrahedral environment while the remaining Ge, Sb, and Te atoms display a defective octahedral environment, reminiscent of cubic crystalline GST.
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Cited by
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0007045 · Cited by 4,468
Self-citationPhase Change Materials and Their Application to Nonvolatile Memories
Raoux, S., Wełnic, W., & Ielmini, D. (2010) · Chemical Reviews · doi:10.1021/cr900040x · Cited by 873
The role of local structure in dynamical arrest
Royall, C. P., & Williams, S. R. (2015) · Physics Reports · doi:10.1016/j.physrep.2014.11.004 · Cited by 473
Metadata
- Authors
- Caravati, S., Bernasconi, M., Kühne, T. D., Krack, M., & Parrinello, M.
- Venue
- Applied Physics Letters
- Publisher
- AIP Publishing
- Published
- 2007-10-22
- Volume
- 91
- Issue
- 17
- ISSN
- 0003-6951 (ISSN-L)
- 1077-3118
- OpenAlex
- W2002761831
- Cited by
- 408
- References
- 0
- FWCI
- 8.78
- Type
- journal article
- Language
- en
- Open access
- green
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- Caravati, S., Bernasconi, M., Kühne, T. D., Krack, M., & Parrinello, M. (2007). Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials. Applied Physics Letters. https://doi.org/10.1063/1.2801626
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