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- Publisher Website: 10.1103/PhysRevMaterials.2.043401
- Scopus: eid_2-s2.0-85054806766
- WOS: WOS:000429452800001
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Article: Atomistic insights into the nanosecond long amorphization and crystallization cycle of nanoscale Ge2Sb2Te5: An ab initio molecular dynamics study
Title | Atomistic insights into the nanosecond long amorphization and crystallization cycle of nanoscale Ge2Sb2Te5: An ab initio molecular dynamics study |
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Authors | |
Issue Date | 2018 |
Citation | Physical Review Materials, 2018, v. 2, n. 4, article no. 043401 How to Cite? |
Abstract | The complete process of amorphization and crystallization of the phase-change material Ge2Sb2Te5 is investigated using nanosecond ab initio molecular dynamics simulations. Varying the quench rate during the amorphization phase of the cycle results in the generation of a variety of structures from entirely crystallized (-0.45 K/ps) to entirely amorphized (-16 K/ps). The 1.5-ns annealing simulations indicate that the crystallization process depends strongly on both the annealing temperature and the initial amorphous structure. The presence of crystal precursors (square rings) in the amorphous matrix enhances nucleation/crystallization kinetics. The simulation data are used to construct a combined continuous-cooling-transformation (CCT) and temperature-time-transformation (TTT) diagram. The nose of the CCT-TTT diagram corresponds to the minimum time for the onset of homogenous crystallization and is located at 600 K and 70 ps. That corresponds to a critical cooling rate for amorphization of -4.5 K/ps. The results, in excellent agreement with experimental observations, suggest that a strategy that utilizes multiple quench rates and annealing temperatures may be used to effectively optimize the reversible switching speed and enable fast and energy-efficient phase-change memories. |
Persistent Identifier | http://hdl.handle.net/10722/303761 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Branicio, Paulo S. | - |
dc.contributor.author | Bai, Kewu | - |
dc.contributor.author | Ramanarayan, H. | - |
dc.contributor.author | Wu, David T. | - |
dc.contributor.author | Sullivan, Michael B. | - |
dc.contributor.author | Srolovitz, David J. | - |
dc.date.accessioned | 2021-09-15T08:25:58Z | - |
dc.date.available | 2021-09-15T08:25:58Z | - |
dc.date.issued | 2018 | - |
dc.identifier.citation | Physical Review Materials, 2018, v. 2, n. 4, article no. 043401 | - |
dc.identifier.uri | http://hdl.handle.net/10722/303761 | - |
dc.description.abstract | The complete process of amorphization and crystallization of the phase-change material Ge2Sb2Te5 is investigated using nanosecond ab initio molecular dynamics simulations. Varying the quench rate during the amorphization phase of the cycle results in the generation of a variety of structures from entirely crystallized (-0.45 K/ps) to entirely amorphized (-16 K/ps). The 1.5-ns annealing simulations indicate that the crystallization process depends strongly on both the annealing temperature and the initial amorphous structure. The presence of crystal precursors (square rings) in the amorphous matrix enhances nucleation/crystallization kinetics. The simulation data are used to construct a combined continuous-cooling-transformation (CCT) and temperature-time-transformation (TTT) diagram. The nose of the CCT-TTT diagram corresponds to the minimum time for the onset of homogenous crystallization and is located at 600 K and 70 ps. That corresponds to a critical cooling rate for amorphization of -4.5 K/ps. The results, in excellent agreement with experimental observations, suggest that a strategy that utilizes multiple quench rates and annealing temperatures may be used to effectively optimize the reversible switching speed and enable fast and energy-efficient phase-change memories. | - |
dc.language | eng | - |
dc.relation.ispartof | Physical Review Materials | - |
dc.title | Atomistic insights into the nanosecond long amorphization and crystallization cycle of nanoscale Ge2Sb2Te5: An ab initio molecular dynamics study | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1103/PhysRevMaterials.2.043401 | - |
dc.identifier.scopus | eid_2-s2.0-85054806766 | - |
dc.identifier.volume | 2 | - |
dc.identifier.issue | 4 | - |
dc.identifier.spage | article no. 043401 | - |
dc.identifier.epage | article no. 043401 | - |
dc.identifier.eissn | 2475-9953 | - |
dc.identifier.isi | WOS:000429452800001 | - |