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Microscopic Mechanism of Doping‐Induced Kinetically Constrained Crystallization in Phase‐Change Materials
Author(s) -
Lee Tae Hoon,
Loke Desmond,
Elliott Stephen R.
Publication year - 2015
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.201502295
Subject(s) - dopant , crystallization , materials science , doping , chemical physics , mechanism (biology) , phase (matter) , phase change , ab initio , nanotechnology , chemical engineering , engineering physics , optoelectronics , chemistry , physics , organic chemistry , engineering , quantum mechanics
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.