First-principles thermal transport in amorphous Ge 2 Sb 2 Te 5 at the nanoscale

Duong, Thuy-Quynh; Bouzid, Assil; Massobrio, Carlo; Ori, Guido; Boero, Mauro; Martin, Évelyne

Document type :

Article dans une revue scientifique: Article original

DOI :

10.1039/d0ra10408f

Title :

First-principles thermal transport in amorphous Ge 2 Sb 2 Te 5 at the nanoscale

Author(s) :

Duong, Thuy-Quynh [Auteur]
Physique - IEMN [PHYSIQUE - IEMN]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Bouzid, Assil [Auteur]
IRCER - Axe 3 : organisation structurale multiéchelle des matériaux [IRCER-AXE3]
Massobrio, Carlo [Auteur]
Institut de Physique et Chimie des Matériaux de Strasbourg [IPCMS]
Ori, Guido [Auteur]
Institut de Physique et Chimie des Matériaux de Strasbourg [IPCMS]
Boero, Mauro [Auteur]
Institut de Physique et Chimie des Matériaux de Strasbourg [IPCMS]
Martin, Évelyne [Auteur]
Laboratoire des sciences de l'ingénieur, de l'informatique et de l'imagerie [ICube]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]

Journal title :

Rsc Advances

Pages :

10747-10752

Publisher :

Royal Society of Chemistry

Publication date :

2021

English keyword(s) :

Thermal conductivity
first-principles molecular dynamics
amorphous
phase-change materials

HAL domain(s) :

Chimie/Matériaux
Chimie/Chimie inorganique

English abstract : [en]

Achieving a precise understanding of nanoscale thermal transport in phase change materials (PCMs), such as Ge 2 Sb 2 Te 5 (GST), is the key of thermal management in nanoelectronics, photonic and neuromorphic applications ...
Show more >Achieving a precise understanding of nanoscale thermal transport in phase change materials (PCMs), such as Ge 2 Sb 2 Te 5 (GST), is the key of thermal management in nanoelectronics, photonic and neuromorphic applications using non-volatile memories. By resorting to a first-principles approach to calculate the thermal conductivity of amorphous GST, we found that size effects and heat transport via propagative modes persist well beyond extended range order distances typical of disordered network-forming materials. Values obtained are in quantitative agreement with the experimental data, by revealing a strong size dependence of the thermal conductivity down to the 1.7-10 nm range, fully covering the scale of current PCMs-based devices. In particular, a reduction of thermal conductivity as large as 75% occurs for dimensions lying below 2 nm. These results provide a quantitative description of the thermal properties of amorphous GST at the nanoscale and are expected to underpin the development of PCMs-based device applications.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

ANR Project :

Simulation des résistances thermiques d'interface: utilisation des transitoires de chaleur pour des simulations en dynamique moléculaire ab initio

Collections :

Institut d'Électronique, de Microélectronique et de Nanotechnologie (IEMN) - UMR 8520

Source :

Harvested from HAL

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