Archive

Electric field gradients in (111)In-doped (Hf/Zr)3Al2 and (Hf/Zr)4Al3 mixed compounds: ab initio calculations, perturbed angular correlation measurements and site preference.

This materials-physics study investigated quadrupolar hyperfine interactions of (111)In→(111)Cd probes in polycrystalline Zr4Al3 and Hf4Al3 containing minority (Zr/Hf)3Al2 phases. The authors observed a strong preference of (111)In solutes for the minority (Zr/Hf)3Al2 phases. Ab initio EFG calculations were used to…

An extension of the Czjzek model for the distributions of electric field gradients in disordered solids and an application to NMR spectra of 71Ga in chalcogenide glasses.

This paper discusses the Czjzek model for distributions of electric field gradient (EFG) tensors in disordered solids and highlights its underlying assumptions and characteristics. It then introduces an extended model that combines a defined local EFG environment with an adjustable Gaussian (Czjzek) noise term to…

Cyanide orientational ordering and copper electric field gradients in CuCN.N2H4.

This study reports solid-state NMR (13C and 15N MAS) measurements on CuCN·N2H4 to extract copper quadrupole coupling constants and characterize cyanide ordering. Ab initio calculations were used to determine electric field gradient and chemical shielding tensor orientations needed for spectral analysis. The authors…