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Microscopic Mechanism of Doping-Induced Kinetically Constrained Crystallization in Phase-Change Materials.


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Authors

Lee, Tae Hoon 
Loke, Desmond 
Elliott, Stephen R 

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.

Description

Keywords

DFT calculations, doping, kinetically constrained crystallization, phase-change materials, structural heterogeneity

Journal Title

Adv Mater

Conference Name

Journal ISSN

0935-9648
1521-4095

Volume Title

27

Publisher

Wiley
Sponsorship
Engineering and Physical Sciences Research Council (EP/I018050/1)
We acknowledge financial support from the Engineering and Physical Sciences Research Council (UK).