Electronic structure of barium hexaboride

The electronic structure and the Fermi surface BaB6 are studied as a functi on of doping in a conventional bandstructure approach based on the local de nsity approximation to density functional theory (LDA). In particular it is shown that magnetic breakthrough can occur between the two sheets of the F ermi surface disconnected by electron-hole mixing and the spin-orbit intera ction. It is further suggested that angle-resolved photoemission will see a single ellipse in the (100) plane for certain doping values, due to the fi nite energy/momentum resolution of the method. Transport properties, comput ed within Bloch-Boltzmann theory, are also presented. The bare plasma energ y is found to be approximate to 0.6 eV in the stoichiometric compound.