The influence of hat excitations, vacancies and impurities of the energy electronic band-structure of metallic lithium

摘要

The Korringa-Kohn-Rostoker method with Green's function averaged over the atomic configurations in a complex ising lattice and a muffintin potential was used to calculate the electronic-band structure in l ithium containing vacancies and s, p, and d impurities. It is shown that substantial changes in the profile of the Fermi surface do not lead to necking, as was postulated previously, but cause splittijng of the electronic states at the face of the Brillouin zoone. This is attributed to the reduced symmetry of the crystal lattice with impruity excitation of the electronic-subsystem.