title: Microscopic Mechanism of Doping-Induced Kinetically Constrained Crystallization in Phase-Change Materials.
abstract: A comprehensive microscopic mechanism of doping-induced kinetically constrained crystallization in phase-change materials is provided by investigating structural and dynamical dopant characteristics via ab initio molecular dynamics simulations. The information gained from this study may provide a basis for a fast screening of dopant species for electronic memory devices, or for understanding the general physics involved in the crystallization of doped glasses.
authors.affiliation: Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.
authors.forename: Tae Hoon
authors.initials: TH
authors.lastname: Lee
authors.affiliation: Department of Engineering Product Development, Singapore University of Technology and Design, 8 Somapah Road, Singapore, 487372, Singapore.
authors.forename: Desmond
authors.initials: D
authors.lastname: Loke
authors.affiliation: Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.
authors.forename: Stephen R
authors.initials: SR
authors.lastname: Elliott
keywords: DFT calculations; doping; kinetically constrained crystallization; phase-change materials; structural heterogeneity