What is the role of the sp-band in bandstructures and density-of-states?

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SUMMARY

The sp-band in bandstructures and density-of-states is derived from the delocalization of valence electrons in collective orbitals, as explained by the tight binding model. In the case of Molybdenum (Mo), which has the electron configuration [Kr] 5s1 4d5, the sp-band arises from the hybridization of s and p orbitals. Understanding this concept is crucial for analyzing the electronic properties of solids. The tight binding model provides a foundational framework for comprehending how these bands form in condensed matter physics.

PREREQUISITES
  • Tight binding model
  • Band structure theory
  • Density of states (DOS)
  • Hybridization of atomic orbitals
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  • Investigate the role of hybridization in electronic properties of materials
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Physicists, materials scientists, and students studying solid state physics who seek to understand the electronic structure of materials and the significance of sp-bands in band theory.

markmick
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I understand what the s-band, p-band and d-bands are. And I understand the sp hybrid orbital. But I'm unclear what the sp-band is, in conjunction with bandstructures and density-of-states.

For example: Molybdenum is [Kr] 5s1 4d5. What gives rise to sp-band for Mo?

Mark
 
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Are you familiar with the tight binding model? when matter forms the condensed state, it forms bonds. A solid can be thought as a macromolecule. The valence electrons no longer "belong" to specific atoms, they are delocalized in collective orbitals. Those orbitals give rise to the band structure. In particular, bands associated to the sp hybrid orbitals are 'sp' bands. You should look for the tight binding model in a solid state physics textbook.

This might help a bit: https://en.wikipedia.org/wiki/Tight_binding

And this: https://www2.le.ac.uk/departments/physics/people/mervynroy/lectures/pa4311/tight-binding.pdf (just google 'tight binding').
 
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