Fermi Surface and Positron Annihilation in Yttrium

Abstract

The electronic structure of yttrium has been calculated at the equivalent of 6000 general points in the primitive Brillouin zone using the augmented-plane-wave method. The density of states and the Fermi surface are presented. The topology of the Fermi surface is discussed, and experimental results for de Haasvan Alphen measurements are predicted. Wave functions have also been calculated for each of the occupied eigenvalues, and these were used to study the angular distribution of radiation resulting from positron annihilation in the metal. Few experimental results are currently available for comparison with this work.