I Valence and conduction bands in five band Hamiltonian

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In a five-band Hamiltonian model, the conduction bands are typically above 0 eV, while the valence bands are below. The discussion centers on a band structure plot for b12-borophene, which exhibits characteristics of a material transitioning from an insulator to a semiconductor and then to a metal. The band diagram indicates that the material behaves as a metal, with an indirect bandgap in certain directions and a direct bandgap in others. References provided include detailed analyses of borophene's properties and its potential applications. Understanding these band structures is crucial for applications in materials science and semiconductor technology.
Mohammad-gl
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Hello,
I have this band structure plot for five band Hamiltonian model. I want to know which bands are valence and which one is conduction bands. Also if they have any special name I like to know that.
Thank you.
 

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Mohammad-gl said:
Hello,
I have this band structure plot for five band Hamiltonian model. I want to know which bands are valence and which one is conduction bands. Also if they have any special name I like to know that.
Thank you.
Usually, if the energy is above ##0 eV## it is the conduction band, if below it is the Valence band. The confusing part of this diagram is that it looks like the material changes from insulator to semi-conductor to metal and back as you go from left to right. What is the material?
 
Last edited:
bob012345 said:
Usually, if the energy is above ##0 eV## it is the conduction band, if below it is the Valence band. The confusing part of this diagram is that it looks like the material changes from insulator to semi-conductor to metal and back as you go from left to right. What is the material?
this is b12-borophene material
 
Mohammad-gl said:
this is b12-borophene material
Here is a reference to that material which has the band diagram color coded on page 5.

https://www.researchgate.net/publication/342185652_Two-Dimensional_Borophene_Properties_Fabrication_and_Promising_Applications/download
 
bob012345 said:
Here is a reference to that material which has the band diagram color coded on page 5.

https://www.researchgate.net/publication/342185652_Two-Dimensional_Borophene_Properties_Fabrication_and_Promising_Applications/download
Thank you
 
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Likes berkeman and bob012345
Based on these references and some more thought, I now think this band diagram shows this material is a metal but the overlapping bandgap is indirect for certain directions and direct for other directions.

This is Borophene specific;
"First-Principles Investigation of Borophene as a Monolayer Transparent Conductor "
https://www.osti.gov/pages/servlets/purl/1467636

This is a Nature review article;
"Bandgap engineering of two-dimensional semiconductor materials" https://www.nature.com/articles/s41699-020-00162-4.pdf
 

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