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Time-differential perturbed angular correlation (TDPAC) measurements havebeen carried out in stoichiometric ZrNi$_3$ and HfNi$_3$ intermetalliccompounds using $^{181}$Ta probe in the temperature range 77-1073 K consideringthe immense technological applications of Zr-Ni and Hf-Ni intermetalliccompounds. In ZrNi$_3$, four components due to the production of Zr$_2$Ni$_7$,Zr$_8$Ni$_{21}$, Zr$_7$Ni$_{10}$ and ZrNi$_3$ have been found at roomtemperature. The HfNi$_3$ sample produces five electric quadrupole interactionfrequencies at room temperature. The phase HfNi$_3$ is strongly produced instoichiometric sample of HfNi$_3$ where two non-equivalent Hf sites are foundto be present. Besides this phase, two other phases due to Hf$_2$Ni$_7$ andHf$_8$Ni$_{21}$ have been found but, we do not observe any phase due toHf$_7$Ni$_{10}$. X-ray diffraction, TEM/energy dispersive X-ray spectroscopy(EDX) and TEM-selected area electron diffraction (SAED) measurements were usedto further characterize the investigated materials and it was found that theseresults agree with the TDPAC results. In order to confirm findings from TDPACmeasurements, density functional theory (DFT) based calculations of electricfield gradients (EFG) and asymmetry parameters at the sites of $^{181}$Ta probenucleus were performed. Our calculated results are found to be in excellentagreement with the experimental results.

Identification of phase components in Zr-Ni and Hf-Ni intermetallic  compounds; Investigations by perturbed angular correlation spectroscopy and  first principles calculations