Graphene's Hubbard U and nanotube's U

In summary, Hubbard U is a parameter in the Hubbard model used to describe the behavior of electrons in materials. It refers to the on-site Coulomb interaction between electrons within the same orbital on a carbon atom and can significantly affect the electronic properties of graphene and nanotubes. The value of Hubbard U is influenced by factors such as material geometry, electron-electron interactions, and electron density, and is typically calculated using theoretical methods. The exact value of Hubbard U in graphene and nanotubes is still a topic of ongoing research, with some studies suggesting a high value and others finding it to be negligible or negative.
  • #1
ShaHan
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TL;DR Summary
Are graphene and nanotube Hubbard U system and if yes, what's the value
PhysRevLett.106,236805 (2011) seems to state that Graphene has U=9.3eV and PRB 55-R11973 (1997) states that nanotube has U=u/N. However, it's not unusual for them to be hubbard U systems
 
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  • #2
Well, graphene do have 4.6eV U and SWCNT have about 7eV U. However, these U are smaller than W. So they are not Hubbard U system
 

1. What is Hubbard U in relation to graphene and nanotubes?

Hubbard U is a parameter that describes the strength of the on-site Coulomb interactions between electrons in a material. In graphene and nanotubes, it is used to account for the strong electron-electron interactions that occur due to their unique atomic and electronic structures.

2. How does Hubbard U affect the electronic properties of graphene and nanotubes?

Hubbard U plays a crucial role in determining the electronic properties of graphene and nanotubes. It can lead to the formation of localized electronic states, known as Hubbard bands, which can significantly impact the material's conductivity, bandgap, and other electronic properties.

3. What is the relationship between Hubbard U and the bandgap of graphene and nanotubes?

Hubbard U can induce a bandgap in graphene and nanotubes, which are otherwise known as zero-bandgap materials. This is because it can open up a gap between the valence and conduction bands, allowing for the control of the material's conductivity and other electronic properties.

4. How is Hubbard U calculated and determined for graphene and nanotubes?

Hubbard U is typically calculated using theoretical methods such as density functional theory (DFT) or many-body perturbation theory (MBPT). These methods take into account the atomic and electronic structure of the material to determine the strength of the on-site Coulomb interactions.

5. Can Hubbard U be experimentally measured in graphene and nanotubes?

While it is challenging to directly measure Hubbard U in graphene and nanotubes, its effects can be observed through various experimental techniques such as angle-resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy (STM).

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