Ab initio molecular-dynamics simulation of neuromorphic computing in phase-change memory materials

Jonathan Skelton, Desmond Loke, Taehoon Lee, Stephen Elliott

Research output: Contribution to journalArticle

  • 6 Citations

Abstract

We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural order in response to temperature pulses of varying length and duration are observed, and a good reproduction of the spike-timing-dependent plasticity observed in nanoelectronic synapses is demonstrated. Short above-melting pulses lead to instantaneous loss of structural and chemical order, followed by delayed partial recovery upon structural relaxation. We also investigate the link between structural order and electrical and optical properties. These results pave the way towards a first-principles understanding of phase-change physics beyond binary switching.
LanguageEnglish
Pages14223–14230
Number of pages8
JournalACS Applied Materials and Interfaces
Volume7
Issue number26
Early online date23 Jun 2015
DOIs
StatusPublished - 8 Jul 2015

Fingerprint

Phase change memory
Structural relaxation
Nanoelectronics
Phase change materials
Plasticity
Molecular dynamics
Melting
Electric properties
Physics
Optical properties
Recovery
Computer simulation
Temperature

Keywords

  • brain-inspired/neuromorphic computing
  • phase-change materials
  • computational modelling
  • ab initio molecular-dynamics simulation
  • electronic synapse

Cite this

Ab initio molecular-dynamics simulation of neuromorphic computing in phase-change memory materials. / Skelton, Jonathan; Loke, Desmond; Lee, Taehoon; Elliott, Stephen.

In: ACS Applied Materials and Interfaces, Vol. 7, No. 26, 08.07.2015, p. 14223–14230.

Research output: Contribution to journalArticle

Skelton, Jonathan ; Loke, Desmond ; Lee, Taehoon ; Elliott, Stephen. / Ab initio molecular-dynamics simulation of neuromorphic computing in phase-change memory materials. In: ACS Applied Materials and Interfaces. 2015 ; Vol. 7, No. 26. pp. 14223–14230.
@article{ce030f613b8845f5a656d792c08415ac,
title = "Ab initio molecular-dynamics simulation of neuromorphic computing in phase-change memory materials",
abstract = "We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural order in response to temperature pulses of varying length and duration are observed, and a good reproduction of the spike-timing-dependent plasticity observed in nanoelectronic synapses is demonstrated. Short above-melting pulses lead to instantaneous loss of structural and chemical order, followed by delayed partial recovery upon structural relaxation. We also investigate the link between structural order and electrical and optical properties. These results pave the way towards a first-principles understanding of phase-change physics beyond binary switching.",
keywords = "brain-inspired/neuromorphic computing, phase-change materials, computational modelling, ab initio molecular-dynamics simulation, electronic synapse",
author = "Jonathan Skelton and Desmond Loke and Taehoon Lee and Stephen Elliott",
year = "2015",
month = "7",
day = "8",
doi = "10.1021/acsami.5b01825",
language = "English",
volume = "7",
pages = "14223–14230",
journal = "ACS Applied Materials and Interfaces",
issn = "1944-8244",
publisher = "American Chemical Society",
number = "26",

}

TY - JOUR

T1 - Ab initio molecular-dynamics simulation of neuromorphic computing in phase-change memory materials

AU - Skelton, Jonathan

AU - Loke, Desmond

AU - Lee, Taehoon

AU - Elliott, Stephen

PY - 2015/7/8

Y1 - 2015/7/8

N2 - We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural order in response to temperature pulses of varying length and duration are observed, and a good reproduction of the spike-timing-dependent plasticity observed in nanoelectronic synapses is demonstrated. Short above-melting pulses lead to instantaneous loss of structural and chemical order, followed by delayed partial recovery upon structural relaxation. We also investigate the link between structural order and electrical and optical properties. These results pave the way towards a first-principles understanding of phase-change physics beyond binary switching.

AB - We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural order in response to temperature pulses of varying length and duration are observed, and a good reproduction of the spike-timing-dependent plasticity observed in nanoelectronic synapses is demonstrated. Short above-melting pulses lead to instantaneous loss of structural and chemical order, followed by delayed partial recovery upon structural relaxation. We also investigate the link between structural order and electrical and optical properties. These results pave the way towards a first-principles understanding of phase-change physics beyond binary switching.

KW - brain-inspired/neuromorphic computing

KW - phase-change materials

KW - computational modelling

KW - ab initio molecular-dynamics simulation

KW - electronic synapse

UR - http://dx.doi.org/10.1021/acsami.5b01825

U2 - 10.1021/acsami.5b01825

DO - 10.1021/acsami.5b01825

M3 - Article

VL - 7

SP - 14223

EP - 14230

JO - ACS Applied Materials and Interfaces

T2 - ACS Applied Materials and Interfaces

JF - ACS Applied Materials and Interfaces

SN - 1944-8244

IS - 26

ER -