The first principles calculations of the electronic structure and hyperfine interactions Cr $$_x$$ NbSe $$_2$$ (x = 0.33, 0.55) chalcogenides are presented. As a result, values fields parameters quadrupole interaction were determined for different arrangements chromium ions. Ab initio compared with data obtained by nuclear magnetic resonance methods on $$^{53}$$ $$^{93}$$ Nb nuclei. It has been...

Hybrid organic–inorganic lead halide perovskites have emerged as popular low-cost, solution-processable semiconductors owing to their outstanding optical and electronic characteristics. The structural characterization of these soft solids has proven challenging due increased dynamics static disorder. Nuclear quadrupole resonance (NQR) may serve a powerful tool for probing the local structure an...

The magnetic structure of antiferromagnetic $\alpha$-Mn has been unclarified for almost 70 years since its magnetism was discovered. We measured the zero-field nuclear resonance spectra to obtain further insight into below $T_{\text{N}} = 95$ K. site II split two sites with five subpeaks owing quadrupole interaction, and this shows that ordered moments at are slightly tilted from $[001]$ direct...