The bandstructure and optical properties of PtBi

Abstract By means of the APW-method the electronic bandstructure and the density of states of PtBi have been calculated. The spatial behaviour of the d -states has been investigated and the Fermi-level calculated. Experimental data, e.g. XPS, were used to test the results. Also a comparison was made with two closely related compounds PdSb and PtSn. Finally the optical properties of PtBi have been calculated from the collected numerical data, using the joint density of states and density—density correlation formalism.