NMR Study of the Zinc Chalcogenides (ZnX, X = O, S, Se, Te)

Abstract

Abstract A nuclear magnetic resonance investigation of the solid zinc chalcogenides ZnX (X = O, S, Se, Te) is carried out, using the following nuclei as probes, 67 Zn, 17 O, 33 S, 77 Se, and 125 Te. The spectra yield nuclear quadrupole coupling constants and chemical‐shift parameters for polycrystalline ZnO and Zns in the wurtzite (hexagonal) form, and chemical shifts and linewidths for polycrystalline ZnS, ZnSe, and ZnTe in the sphalerite (cubic) form. A single crystal of ZnO is used to obtain an accurate measurement of the quadrupole coupling constant for 67 Zn, ∣ e 2 qQ/h ∣ = 2.4065(15) MHz at 296 K, in agreement with a recent Mössbauer‐effect measurement. The electric field gradient of the wurtzite structures is analysed with a simple ionic model, and the results are found to be in semi‐quantitative agreement with experiment.