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Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalize...

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Detalles Bibliográficos
Autores principales:	Buda, I. G., Lane, C., Barbiellini, B., Ruzsinszky, A., Sun, J., Bansil, A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5363068/ https://www.ncbi.nlm.nih.gov/pubmed/28333131 http://dx.doi.org/10.1038/srep44766

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