Electric field gradients at Ta and Cd in Ti2Pd compound

The hyperfine quadrupole interaction parameters and their temperature dependences for 181Ta and 111Cd probes in Ti2Pd compound were determined experimentally by means of the perturbed angular correlation (PAC) technique. In addition, ab initio calculations using all-electron augmented plane wave plus local orbitals (APW + lo) method have been performed. Through the comparison of the calculated and measured electric field gradients (EFG) it was established that both Ta and Cd occupy 4(e) Ti position in the Ti2Pd compound.