Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2-Reference-Cited by-同舟云学术

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Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2

Published:2017-07-28 Issue:4 Volume:147 Page:044504
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Lampin Evelyne¹,Bouzid Assil²,Ori Guido³,Boero Mauro³^ORCID,Massobrio Carlo³

Affiliation:

1. Université Lille, CNRS, Centrale Lille, ISEN, Université Valenciennes, UMR 8520–IEMN, F-59000 Lille, France

2. Chaire de Simulation à l’Echelle Atomique (CSEA), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

3. Université de Strasbourg, CNRS, Institut de Physique et Chimie des Matériaux de Strasbourg, UMR 7504, F-67034 Strasbourg, France

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference58 articles.

1. Density-driven defect-mediated network collapse ofGeSe2glass

2. Pressure-induced structural changes in the network-forming isostatic glassGeSe4: An investigation by neutron diffraction and first-principles molecular dynamics

3. Origin of structural analogies and differences between the atomic structures of GeSe4 and GeS4 glasses: A first principles study

4. First-principles study of amorphousGa4Sb6Te3phase-change alloys

5. Role of the van der Waals interactions and impact of the exchange-correlation functional in determining the structure of glassyGeTe4

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2. Quantitative assessment of the structure of Ge20Te73I7 chalcohalide glass by first-principles molecular dynamics;Physical Review B;2021-03-29

3. Atomic Structure of Glassy GeTe4 as a Playground to Assess the Performances of Density Functional Schemes Accounting for Dispersion Forces;The Journal of Physical Chemistry B;2020-11-30

4. Assessing the Versatility of Molecular Modelling as a Strategy for Predicting Gas Adsorption Properties of Chalcogels;Theory and Simulation in Physics for Materials Applications;2020

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