Valence and conduction bands in five band Hamiltonian

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SUMMARY

The discussion centers on identifying valence and conduction bands within a five band Hamiltonian model, specifically for the material B12-borophene. It is established that energy levels above 0 eV correspond to conduction bands, while those below indicate valence bands. The band structure indicates that B12-borophene exhibits characteristics of a metal, with an indirect bandgap in certain directions and a direct bandgap in others. References to relevant literature provide further insights into the properties and applications of borophene.

PREREQUISITES
  • Understanding of band theory in solid-state physics
  • Familiarity with five band Hamiltonian models
  • Knowledge of energy band diagrams
  • Basic concepts of semiconductor physics
NEXT STEPS
  • Research "B12-borophene properties and applications" for in-depth material characteristics
  • Study "First-Principles Investigation of Borophene as a Monolayer Transparent Conductor" for insights on conductivity
  • Explore "Bandgap engineering of two-dimensional semiconductor materials" for advanced bandgap manipulation techniques
  • Examine band structure analysis techniques for better interpretation of energy diagrams
USEFUL FOR

Researchers, physicists, and materials scientists interested in two-dimensional materials, particularly those studying the electronic properties of borophene and its applications in 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
 
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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
 
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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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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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