Closed Shell States in Periodic Compounds

Abstract

Vanishing of the total angular momentum of the electrons occupying all orbitals of a closed shell in an atom is a textbook fact. Understanding the symmetry content of the atomic shell as irreducible representation of angular momentum, enables straightforward transfer of the notion to (translational or helically) periodic systems. More relevant generalizations naturally appear: stratum shell is intermediate step to physically sound band representations, including elementary and basic ones and connected components. We show that nontrivial determinant representation indicates stable topology of band in single colorless layer groups and obstructive limit in in single colorless line groups.