Bands in strongly correlated materials

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Discussion Overview

The discussion revolves around the concept of band structures in strongly correlated materials, particularly focusing on whether the notion of bands remains applicable when traditional mean-field approximations fail due to significant electron correlations. The scope includes theoretical considerations and the implications of electronic correlations on band theory.

Discussion Character

  • Debate/contested
  • Technical explanation

Main Points Raised

  • Some participants suggest that band theory is still relevant in strongly correlated materials, citing examples like Twisted Bilayer Graphene where electronic correlations are considered in the Hamiltonian to derive band structures.
  • Others argue against this view, claiming that the flat band structure observed in certain materials is primarily due to atomic structure rather than electronic correlations, indicating a limitation of band theory in these contexts.
  • One participant notes that while mean-field approximations can incorporate some correlation effects, they become inadequate when correlations are extensive, leading to questions about the reliability of band theory in such scenarios.

Areas of Agreement / Disagreement

Participants express differing opinions on the role of electronic correlations versus atomic structure in determining band characteristics, indicating that multiple competing views remain without consensus on the applicability of band theory in strongly correlated materials.

Contextual Notes

The discussion highlights the limitations of mean-field approaches in capturing the complexities of strongly correlated systems, particularly when spatial correlations become significant.

dRic2
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The concepts of bands is a useful tool in describing electrons in solids, but as far as I understand it arises naturally only when the real interacting system of electrons can be mapped with a very good approximation to an independent-particles problem (a mean-field approximation). If I have strongly correlated material the correlation length is very big and standard mean-field methods begin to fail. In such a particular case do scientists keep talking about bands ?

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Ric
 
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Yes they do keep talking about bands. Consider the system everybody is talking about nowadays: Twisted Bilayer Graphene. This is a material with a flat band structure and the cause of this is electronic correlation.

People that do theory consider correlation in the hamiltonian and then get a band structure. So yes, they do keep talking about bands.
 
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I can not agree with david. The cause of a flat band structure is not the electronic correlation. In fact, it is the atomic structure of the material that generates flat bands, if one uses the band theory to solve it. After getting the flat bands, we immediately know that the band theory is not reliable, because the "flatness" invites correlation effect into play.
 
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@peterwang I think I share your point of view but I was talking about mean fields approximation (like DFT), so a bit of correlation is built inside the effective potential that you use to solve the problem self-consistently. In this way you get a 1-particle equations and thus a band structure, but you are still "seeing" electron correlation (at least to some degree). The problem is when the correlation is too big (in space) and a mean field approach is not very helpful.
 

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