Studies on the electronic structure of some cubic intermetallic compounds of dysprosium following the self-consistent augmented-plane-wave method

Abstract

The energy bands and the nature of the conduction electrons have been studied for two intermetallic compounds of dysprosium, i.e, DyZn and DyRh, following the self-consistent augmented-plane-wave (APW) method. The convergence of energy was found to be rapid for DyZn because the shell of $3d^{10}$ electrons for Zn lies below the conduction band. The Fermi energies ($E_F$) have been calculated to be 0.421 and 0.477 Ry for DyZn and DyRh, respectively. The densities and the numbers of conduction electrons inside and outside the APW spheres in each of these compounds are calculated, and it is shown that the character of conduction electrons inside the APW sphere of Dy is predominantly of $d$ type. In order to see the accuracy of these results, self-consistent calculations were done for DyZn for different choices of the exchange potentials, and the calculated number of conduction electrons did not change significantly. The consequence of the predominance of $d$ electrons in the conduction band on the various physical parameters is discussed.