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Article Dans Une Revue Journal of Physics D: Applied Physics Année : 2020

Chalcogenide glasses for innovation in applied science: fundamental issues and new insights

Résumé

We provide an overview of what has been accomplished by our team, since 1998, in the area of firstprinciples molecular dynamics (FPMD) modeling of glassy chalcogenides, a prototypical family of network disordered materials. After a broad introduction that defines the main motivation and strategy of our approach, we treat several cases by focusing first on a specific issue of generic character (the origin of the first sharp diffraction peak in the neutron structure factor as a signature of intermediate range order) and then on particular systems mostly within (or closely related to) the Ge x Se 1-x binary family. Chalcogenides ternary glasses will also be considered. It appears that first-principle molecular dynamics has acquired an unprecedented level of reliability in the field of glassy chalcogenides, by enriching and complementing successfully the knowledge of these materials.
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hal-02349413 , version 1 (23-11-2020)

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Carlo Massobrio, Assil Bouzid, Mauro Boero, Guido Ori, Évelyne Martin, et al.. Chalcogenide glasses for innovation in applied science: fundamental issues and new insights. Journal of Physics D: Applied Physics, 2020, 53 (3), pp.033002. ⟨10.1088/1361-6463/ab48a4⟩. ⟨hal-02349413⟩
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