Energy Bands and Fermi Surface of Scandium

The energy bands for hexagonal close-packed scandium have been calculated using the augmented-plane-wave method. From these calculations, the Fermi surface, density of states at the Fermi energy, and electronic specific-heat coefficient were determined. An important feature of the Fermi surface is the existence of large relatively parallel portions perpendicular to the $c$ axis. This feature has also been reported for Y, Lu, Er, and Dy and in the present case can be related to the wave vector of the periodic moment arrangement occurring in alloys of Sc and Tb. Comparisons with the limited number of experimental data are made. There is no indication that the electronic specific-heat coefficient enhancement (due to electron-phonon and electron-electron interactions) is significantly greater for Sc than for Y and the heavy rare earths.