ساختار الكتروني تركيبات فرمين سنگينPUMGa(M=CO, RH

Electronic structure of PuMGa5 (M = Co, Rh) heavy Fermion compounds

Electronic properties of heavy Fermion superconductors PuCoGa5 and PuRhGa5 consisting of density of states, band structure and the Fermi surface have been calculated based on density functional theory in the local spin density approximation plus on site Coulomb correlation (LSDA+U). Calculated density of states is in overall consistency with a photo emission experiment. The bands with f character in the PuCoGa5 mostly form below the Fermi level while in PuRhGa5 some of these bands shift to above the Fermi energy. Comparison with other calculations implies that application of correlation correction, more separates the j=7/2 and j=5/2 band from each other. Fermi surfaces have been also extracted and discussed.