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

[markmick]

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

 

[Telemachus]

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').