Most of the literature that I have come across mainly describes about the importance or impacts of states around the Fermi level in the E-K diagram (energy band diagram). But I have come across some compounds where the orbital contribution from some of its constituent atoms(elements) exists only in the deeper energies relative to other atoms from the same compound. What is the significance or importance of such phenomenon where they contribute relatively to the deeper energy bands?
I reminder two examples for your consideration.
First is the catalyst. In catalyst materials, there is a critical value called d band center, which is used to determine the catalyst properties. The d band may be a deep energy band.
Second is materials with f-orbital element. the f-orbital electrons have penetrate effect, which affect properties much.
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