First-principles Prediction of Symmetry Enforced Multifold Fermionic and Bosonic Degeneracies in M3Sn (M = V, Nb) Compounds

Comparison of electronic band structures for (i) DFT calculations and Wannier90 calculations and (ii) DFT and DFT+U calculations; analysis of surface states for M₂- and MSn-terminated surfaces along (001) direction; summary table with degeneracy type, location in k-space, corresponding little groups (LGs), irreducible representations (IRs), protecting symmetries and nature of crossings for the present system and selected isostructural A15-type compounds; and discussion on experimental prospects and possible realization of degeneracies.