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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2018
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| Materias: | |
| 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 |