| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Phase Stability, Phase Transformations, and Reactive Phase Formation in Electronic Materials XXI
|
| Presentation Title |
Role of Composition in the Phase Transition of Ge-Sb-Te Alloys |
| Author(s) |
Robert Appleton, Alejandro Strachan, Zachary McClure |
| On-Site Speaker (Planned) |
Robert Appleton |
| Abstract Scope |
Ge-Sb-Te (GST) alloys are the predominate phase-change materials for use in data storage. GST has provided large success due to its fast phase transition and phase stability, however the mechanisms and physics that underly its interesting properties remains an open area of research. We investigated the relative stabilities of the crystalline and amorphous phases of GST using ab initio molecular dynamics simulations. From our simulations, we can analyze the free energy of the crystalline and amorphous structures at various temperatures along the phase transition. We compare results for the stable hexagonal and metastable rocksalt crystals of the Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub> alloy. To analyze the role of composition, we study the effects of Ge-poor stoichiometries (Ge<sub>2-x</sub>Sb<sub>2</sub>Te<sub>5</sub>) of each crystal, as well as the effects of different concentrations (1, 5, and 10%) of carbon doping. We report structural analysis and predict Raman spectra directly from our simulations to compare our generated structures to experiment. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Phase Transformations, Modeling and Simulation, |