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Computational Modeling of Tensile Stress Effects on the Structure and Stability of Prototypical Covalent and Layered Materials

Understanding the stability limit of crystalline materials under variable tensile stress conditions is of capital interest for technological applications. In this study, we present results from first-principles density functional theory calculations that quantitatively account for the response of se...

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Detalles Bibliográficos
Autores principales: Chorfi, Hocine, Lobato, Álvaro, Boudjada, Fahima, Salvadó, Miguel A., Franco, Ruth, Baonza, Valentín G., Recio, J. Manuel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6835623/
https://www.ncbi.nlm.nih.gov/pubmed/31635297
http://dx.doi.org/10.3390/nano9101483