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How electrons Coulomb repulsion changes graphene band structure

Base on effective medium theory we introduce a multi sites method for calculation of realistic energy bands of strongly correlated systems. We found due to approximated self energy, the density of states that obtained directly by calculated local Green function does not reflects system energy bands...

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Detalles Bibliográficos
Autores principales: Moradian, Rostam, Rabibeigi, Poorya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8971437/
https://www.ncbi.nlm.nih.gov/pubmed/35361848
http://dx.doi.org/10.1038/s41598-022-09527-9
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author Moradian, Rostam
Rabibeigi, Poorya
author_facet Moradian, Rostam
Rabibeigi, Poorya
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description Base on effective medium theory we introduce a multi sites method for calculation of realistic energy bands of strongly correlated systems. We found due to approximated self energy, the density of states that obtained directly by calculated local Green function does not reflects system energy bands truly. By using this method we investigated how electrons repulsion renormalizes graphene bands. Graphene realistic bands calculated in both the dynamical mean field theory (DMFT) and four sites beyond super cell approximation for different repulsions. Our calculated interacting graphene bands illustrate a semi metal to a Mott insulator anti ferromagnetic phase transition at repulsions [Formula: see text] and [Formula: see text] for DMFT and four sites beyond super cell approximation respectively. These values are much less than finite size quantum Monte Carlo calculation prediction. We showed that the graphene bands are very sensitive to electrons repulsions and this phase transition happens at low repulsions in comparison to graphene band width.
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spelling pubmed-89714372022-04-01 How electrons Coulomb repulsion changes graphene band structure Moradian, Rostam Rabibeigi, Poorya Sci Rep Article Base on effective medium theory we introduce a multi sites method for calculation of realistic energy bands of strongly correlated systems. We found due to approximated self energy, the density of states that obtained directly by calculated local Green function does not reflects system energy bands truly. By using this method we investigated how electrons repulsion renormalizes graphene bands. Graphene realistic bands calculated in both the dynamical mean field theory (DMFT) and four sites beyond super cell approximation for different repulsions. Our calculated interacting graphene bands illustrate a semi metal to a Mott insulator anti ferromagnetic phase transition at repulsions [Formula: see text] and [Formula: see text] for DMFT and four sites beyond super cell approximation respectively. These values are much less than finite size quantum Monte Carlo calculation prediction. We showed that the graphene bands are very sensitive to electrons repulsions and this phase transition happens at low repulsions in comparison to graphene band width. Nature Publishing Group UK 2022-03-31 /pmc/articles/PMC8971437/ /pubmed/35361848 http://dx.doi.org/10.1038/s41598-022-09527-9 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Moradian, Rostam
Rabibeigi, Poorya
How electrons Coulomb repulsion changes graphene band structure
title How electrons Coulomb repulsion changes graphene band structure
title_full How electrons Coulomb repulsion changes graphene band structure
title_fullStr How electrons Coulomb repulsion changes graphene band structure
title_full_unstemmed How electrons Coulomb repulsion changes graphene band structure
title_short How electrons Coulomb repulsion changes graphene band structure
title_sort how electrons coulomb repulsion changes graphene band structure
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8971437/
https://www.ncbi.nlm.nih.gov/pubmed/35361848
http://dx.doi.org/10.1038/s41598-022-09527-9
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