High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory

We introduce a simple criterion to identify two-dimensional (2D) materials based on the comparison between experimental lattice constants and lattice constants mainly obtained from Materials-Project (MP) density functional theory (DFT) calculation repository. Specifically, if the relative difference...

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Detalles Bibliográficos
Autores principales: Choudhary, Kamal, Kalish, Irina, Beams, Ryan, Tavazza, Francesca
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5507937/
https://www.ncbi.nlm.nih.gov/pubmed/28701780
http://dx.doi.org/10.1038/s41598-017-05402-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5507937/
https://www.ncbi.nlm.nih.gov/pubmed/28701780
http://dx.doi.org/10.1038/s41598-017-05402-0

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