Figure 4
From: NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds
Electronic bulk band structures under fully relativistic calculations for (a) ScNiBi, (b) ScPdBi, (c) LuPdBi and (d) LuPtBi.
The size of the red dots indicates the degree of occupancy of p1/2-like (Γ7) bands from Bi contributions. The evolution of orbital occupancy and energy position with SOC strength will affect the magnitude of 209Bi nuclear shieldings via a Fermi-contact-like mechanism.
