Electronic structure and electric field gradient of UCoAl

We have carried out a full-potential LAPW band structure calculation including the spin-orbit interactions for UCoAl. From the obtained charge density distributions, the electric field gradients have been calculated and compared with the recent NMR and NQR measurements. The theoretical values agree well with the experimental ones for each sire. (C) 2000 Elsevier Science B.V. All rights reserved.