| Literature DB >> 26426723 |
Tae Hoon Lee1, Desmond Loke2, Stephen R Elliott1.
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.Keywords: DFT calculations; doping; kinetically constrained crystallization; phase-change materials; structural heterogeneity
Year: 2015 PMID: 26426723 DOI: 10.1002/adma.201502295
Source DB: PubMed Journal: Adv Mater ISSN: 0935-9648 Impact factor: 30.849