Electric-field gradients at Cd atoms in low-symmetry CdVnHem clusters were calculated by using the augmented spherical wave method. The results agreed, to within 70%, with experimental data. It was observed that lattice relaxation had a large effect upon the quadrupole frequency and asymmetry parameter. The values of the latter, for the unrelaxed CdV2 and CdV3He2 clusters, were not equal to unity; as predicted by the point charge model. The CdV2He2 cluster had a temperature-dependent electric-field gradient with a transition temperature of about 100K. The same was true of CdV3He4 but, in this case, there were transitions at about 170 and 250K.
D.P.Van der Werf, H.Van Leuken, R.A.De Groot: Physical Review B, 1995, 52[6], 3909-16