As we know, a band has partial contribution from all the orbitals of all the atoms, then how can we determine the parity of a band from these partial contributions? What is the physics involved in the same?
Dear Payal,
Usually the Bloch sphere represent two pure states |0 > and |1 >.on its surface. Although it is possible to extend it to n-dimensions but without identifying the polarizations as projections so easily as in a two level system.
In atomic physics the parity is (-1)^L , where L is the angular momentum. If the electronic band is obtained by a superposition of atomic orbital the parity will be (-1)^L. An alternative way for a material which has a band gap and has inversion symmetry is to identify the parity operator P.
https://www.researchgate.net/post/How_can_one_calculate_parity_of_electronic_bands_from_first_principles_method_VASP_wien2k
Kindly check this https://link.springer.com/article/10.1140/epja/s10050-020-00066-3
Dear Dr. P. Contreras Many thanks for the useful information and the shared links. I will go through it and let you know if I face any difficulty.
Thanks a lot!
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