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arXiv · 1901.11257

Bandwidth renormalization due to the intersite Coulomb interaction

Yann in 't Veld·Malte Schüler·Tim Wehling·Mikhail I. Katsnelson·Erik G. C. P. van Loon
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Abstract

The theory of correlated electrons is currently moving beyond the paradigmatic Hubbard $U$, towards the investigation of intersite Coulomb interactions. Recent investigations have revealed that these interactions are relevant for the quantitative description of realistic materials. Physically, intersite interactions are responsible for two rather different effects: screening and bandwidth renormalization. We use a variational principle to disentangle the roles of these two processes and study how appropriate the recently proposed Fock treatment of intersite interactions is in correlated systems. The magnitude of this effect in graphene is calculated based on cRPA values of the intersite interaction. We also observe that the most interesting charge fluctuation phenomena actually occur at elevated temperatures, substantially higher than studied in previous investigations.

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Yann in 't Veld, Malte Schüler, Tim Wehling, Mikhail I. Katsnelson, Erik G. C. P. van Loon. 2019-01-31. Bandwidth renormalization due to the intersite Coulomb interaction. https://doi.org/10.1088/1361-648x/ab36fe

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