Short range order and network connectivity in amorphous AsTe3: a first principles, machine learning, and XRD study
Author:
Affiliation:
1. Institut de Recherche sur les Céramiques (IRCER)
2. UMR CNRS 7315-Université de Limoges
3. France
4. ICGM
5. Univ Montpellier
6. CNRS
7. ENSCM
8. Montpellier
Abstract
The atomic scale structure of amorphous AsTe3 is investigated through coupling X-ray diffraction, and realistic structural models issued from ab initio molecular dynamics and machine learning based interatomic potentials.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP03383A
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