NMR investigation of atomic and electronic structures of half-Heusler topologically nontrivial semimetals

Recent band structure calculations predict that YPdBi is topologically trivial while its isostructural analogue YPtBi is topologically nontrivial. Bi-209 nuclear magnetic resonance spectroscopy is employed to investigate the atomic and electronic structures of both compounds and test this theoretical hypothesis. The observed sign and magnitude of 209Bi isotropic shifts of YPtBi at various temperatures are systematically distinct from YPdBi. Combined with Hall effect measurements, these results support the band inversion model. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim