Surface effects on the crystallization kinetics of amorphous antimony
Xueyang Shen, Yuxing Zhou, Hanyi Zhang, Volker L. Deringer, Riccardo Mazzarello, Wei Zhang
Abstract
molecular dynamics (AIMD) simulations to investigate the effects of free surfaces on the crystallization kinetics of amorphous Sb. We reveal a stark contrast in the crystallization behavior between bulk and surface models at 450 K, which stems from deviations from the bulk structural features in the regions approaching the surfaces. The presence of free surfaces intrinsically tends to create a sub-nanometer region where crystallization is suppressed, which impedes the incubation process and thus constrains the nucleation in two dimensions, stabilizing the amorphous phase in thin-film Sb-based memory devices.
Topics & Concepts
AntimonyCrystallizationAmorphous solidMaterials scienceKineticsMolecular dynamicsAb initioSurface (topology)Phase (matter)Chemical physicsThin filmChemical engineeringCrystallographyNanotechnologyComputational chemistryChemistryMetallurgyPhysicsOrganic chemistryGeometryEngineeringQuantum mechanicsMathematicsPhase-change materials and chalcogenidesAdvanced Memory and Neural ComputingChalcogenide Semiconductor Thin Films