Hubbard model of graphene in high U limit

In summary, the conversation discusses the bonding in graphene and the possibility of a resonating valence bond (RVB) ground state in the Hubbard model for graphene. The speaker mentions that in the high U limit, the ground state would have no ionic structures and there would be three degenerate ground states. However, an article cited by the speaker states that there is a theorem showing the uniqueness of the ground state in the Hubbard model at half filling. The speaker also mentions their interest in the RVB ground state of the Heisenberg model on the honeycomb lattice. It is later clarified that the Hubbard model can support a RVB phase for intermediate U.
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DrDu
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After considering the thread
https://www.physicsforums.com/showthread.php?t=474384
I began to think about the bonding in graphene.
As long as we can neglect electron electron interaction, the ground state can be obtained almost trivially in a tight binding approximation. On the other hand, chemists tend to think of graphene in terms of valence bond structures. In the case of graphene where electron electron interaction is weak, this would mean to consider resonance structures with a high percentage of ionic bonds. But when one considers the Hubbard model in the high U limit (which does not correspond to the situation in graphene), I would guess a valence bond ground state with no ionic structures. There are only three distinct ones which are of "quinonic" character, and which have no overlapp in the infinite lattice limit.
So I would expect a symmetry breaking with three degenerate ground states.
On the other hand in the article cited below, I found the statement that there exists a theorem which shows that the ground state of the Hubbard model is unique at half filling. How does this fit together?

http://www.google.de/url?sa=t&sourc...sg=AFQjCNH49hDGlw8bPhAr-LSKnJK7hPoAWQ&cad=rja

Edit: Well, now that I think about it, the structures that I had in mind are not the only ones (although I had them seen somewhere in my chemistry book long ago). Also, the high U limit of the Hubbard model should reduce to the Heisenberg model. So it seems that actually I am interested in the resonating valence bond ground state of the Heisenberg model.
 
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Related to Hubbard model of graphene in high U limit

1. What is the Hubbard model of graphene in high U limit?

The Hubbard model of graphene in high U limit is a theoretical model used to study the electronic properties of graphene when it is subject to strong electron-electron interactions. It takes into account both the kinetic energy of the electrons as well as their Coulomb repulsion, which is described by the on-site Hubbard U parameter.

2. How does the Hubbard model of graphene in high U limit differ from other models?

The Hubbard model takes into account the strong electron-electron interactions, which are often neglected in other models. This makes it particularly useful for studying the behavior of graphene in the presence of strong Coulomb repulsion, which is essential for understanding its electronic properties.

3. What are the main applications of the Hubbard model of graphene in high U limit?

The Hubbard model has been used to study a wide range of phenomena in graphene, such as the Mott insulating phase, magnetic ordering, and the formation of Hubbard bands. It has also been applied to other materials with similar electronic properties, such as transition metal oxides.

4. What are the limitations of the Hubbard model of graphene in high U limit?

While the Hubbard model is a powerful tool for studying graphene, it has some limitations. It is a simplified model that neglects many other factors that can play a role in the electronic properties of graphene, such as lattice effects and spin-orbit interactions. Additionally, the high U limit may not be applicable in all cases, as the strength of electron-electron interactions can vary depending on the material and conditions.

5. How is the Hubbard U parameter determined in experiments?

The Hubbard U parameter cannot be directly measured in experiments, but it can be estimated using various techniques. One common method is to compare theoretical predictions with experimental data, and adjust the value of U until a good match is obtained. Other approaches include using quantum chemical calculations or extracting information from spectroscopic measurements.

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