Finite-size correction scheme for supercell calculations in Dirac-point two-dimensional materials

Modern electronic structure calculations are predominantly implemented within the super cell representation in which unit cells are periodically arranged in space. Even in the case of non-crystalline materials, defect-embedded unit cells are commonly used to describe doped structures. However, this...

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Detalles Bibliográficos
Autores principales: Rocha, C. G., Rocha, A. R., Venezuela, P., Garcia, J. H., Ferreira, M. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6008397/
https://www.ncbi.nlm.nih.gov/pubmed/29921873
http://dx.doi.org/10.1038/s41598-018-27632-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6008397/
https://www.ncbi.nlm.nih.gov/pubmed/29921873
http://dx.doi.org/10.1038/s41598-018-27632-6

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