Is zigzag graphene nanoribbon metallic or semiconducting?

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Some studies have analyzed zigzag GNRs as metallic, while others have found that when considering spin-polarized band structures, there is a small direct band gap. Additionally, some studies suggest that the antiferromagnetic spin state is the ground state while the ferromagnetic state has a slightly higher energy. Therefore, when performing calculations, it may be necessary to use the antiferromagnetic spin-resolved state as the ground state. This raises the question of whether studies that have considered zigzag GNRs as metallic may not be accurate. In summary, there is a debate in the literature about the band structure of zigzag GNRs and the role of spin, with some studies neglecting spin and others finding a small band gap
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simsCity
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Hi,

* There is no bandgap for zigzag GNRs if the spin is neglected. In some of the studies in the literature, spin is neglected and analyses are done considering zigzag GNRs as metallic.

* In another group of works however, it is argued that spin-polarized bandstructure of zGNRs have small direct bandgap when they consider the spin-resolved calculations.

* Moreover in some studies such as

http://www.researchgate.net/publication/224541474_Magnetic_states_of_zigzag_graphene_nanoribbons_from_first_principles/file/d912f507c01965b8e4.pdf

say that antiferromagnetic spin state (AFM) is the ground state of zGNRs and ferromagnetic state (FM) has a bit higher energy. And they continue their analyses using spin-resolved calculations with AFM.

Hence, do I have to use AFM spin-resolved state in calculations as it is said to be the ground state? Then are the studies considering zGNRs as metallic fail?


Thanks in advance...
 
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Neglecting spin, zigzag GNRs have no band gap. However, there is a (very) small spin orbit coupling which gives the material a band gap on the order of tens of meV, if I recall correctly.
 

1. What is zigzag graphene nanoribbon?

Zigzag graphene nanoribbon is a type of graphene, which is a single layer of carbon atoms arranged in a hexagonal lattice. The edges of the graphene are in a zigzag pattern, giving it its name. Nanoribbons are thin strips of graphene, typically only a few nanometers wide.

2. Is zigzag graphene nanoribbon metallic or semiconducting?

The type of graphene nanoribbon depends on the width of the ribbon. Zigzag graphene nanoribbons with an odd number of rows of carbon atoms are semiconducting, while those with an even number of rows are metallic.

3. How does the width of the zigzag graphene nanoribbon affect its properties?

The width of the zigzag graphene nanoribbon plays a crucial role in determining whether it is metallic or semiconducting. As the width increases, the energy band gap decreases, and the ribbon becomes more metallic in nature.

4. What are the potential applications of zigzag graphene nanoribbon?

Zigzag graphene nanoribbons have shown promise in various applications, including electronics, sensors, and energy storage devices. They have unique electronic and mechanical properties, making them suitable for use in nanotechnology.

5. How is the type of zigzag graphene nanoribbon determined?

The type of zigzag graphene nanoribbon can be determined through calculations and simulations based on its width. Experimental techniques, such as scanning tunneling microscopy, can also be used to observe the electronic properties of the ribbon and determine its type.

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