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

Tae Hoon Lee; Desmond Loke; Stephen R. Elliott

doi:10.1002/adma.201502295

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

Tae Hoon Lee
, Desmond Loke
, Stephen R. Elliott

Singapore University of Technology and Design
University of Cambridge

Research output: Contribution to journal › Article › peer-review

59 Scopus citations

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.

Original language	English
Pages (from-to)	5477-5483
Number of pages	7
Journal	Advanced Materials
Volume	27
Issue number	37
DOIs	https://doi.org/10.1002/adma.201502295
State	Published - 1 Oct 2015

Keywords

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

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10.1002/adma.201502295

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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.",

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

author = "Lee, \{Tae Hoon\} and Desmond Loke and Elliott, \{Stephen R.\}",

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AU - Loke, Desmond

AU - Elliott, Stephen R.

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Y1 - 2015/10/1

N2 - 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.

AB - 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.

KW - DFT calculations

KW - doping

KW - kinetically constrained crystallization

KW - phase-change materials

KW - structural heterogeneity

UR - https://www.scopus.com/pages/publications/84942830403

U2 - 10.1002/adma.201502295

DO - 10.1002/adma.201502295

M3 - Article

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JO - Advanced Materials

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IS - 37

ER -

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

Abstract

Keywords

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