Crystallization Properties of the Ge2Sb2Te5 Phase‐Change Compound from Advanced Simulations
Source abstract
Abstract
Ge2Sb2Te5 (GST) is an important phase‐change material used in optical and electronic memory devices. In this work, crystal growth of GST at 600 K is investigated by ab initio molecular dynamics. Simulations of two different crystallization processes are performed. In the first set of simulations, the growth of crystalline nuclei generated using the metadynamics method is studied. In the second set, models containing a planar amorphous–crystalline interface are considered and the crystallization at the interface is investigated. The extracted crystal growth velocities are in the range of 1 m s−1 in both cases and compare well with recent experimental measurements. It is also found that GST crystallizes into a disordered cubic phase in all the simulations.
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Research context
OpenAlex topics: Phase-change materials and chalcogenides · Nonlinear Optical Materials Studies · Liquid Crystal Research Advancements
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Institute for Theoretical Solid State Physics RWTH Aachen University 52056 Aachen Germany
I. Institute of Physics (IA) RWTH Aachen University 52056 Aachen Germany
Department of Chemistry and Applied Biosciences and Facoltà di Informatica ETH Zurich and Università della Svizzera Italiana 6900 Lugano Switzerland
School of Chemistry The Sackler Faculty of Exact Sciences Tel Aviv University Tel Aviv 69978 Israel
JARA‐FIT and JARA‐HPC RWTH Aachen University 52056 Aachen Germany
Funding
RWTH Aachen University · DFG
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