A Self-consistent Model Calculation Of The Electronic Structure Of Ordered, Disordered And Hydrogenated Pd3fe

We study, within the Bethe lattice approximation, the electronic structure of the ordered, disordered and hydrogenated intermetallic Pd3Fe. We employ a simple one-orbital per site model hamiltonian, which includes a Hubbard-like Coulomb interaction term. This is treated in the Hartree-Fock approximation. We present results for the number of electrons, magnetic moments, and density of states at the Fermi level. Good agreement with available experimental data is obtained. © 1982.424251255Longworth, (1968) Phys. Rev., 172, p. 572Holden, (1976) J. Phys. F: Met. Phys., 6, p. 433Smith, Stirling, Holden, (1977) J. Phys. F: Met. Phys., 7, p. 2411Tsurin, Men'shikov, (1979) Phys. Met. Metall., 45, p. 82(1978) Fiz. Metal. Metalloved., 45, p. 547Bechman, Wallace, Craig, (1973) Phil. Mag., 27, p. 1249Flanagan, Majchrzak, Baranowski, A chemical reaction strongly dependent upon the degree of order of an alloy: The absorption of hydrogen by Pd3Fe (1972) Philosophical Magazine, 25, p. 257Corrêa, Vasquez, da Costa, Jr., Viccaro, Gonçalves da Silva, 57Fe Mössbauer investigation of the ternary hydride Pd3FeHx (1981) Solid State Communications, 40, p. 211Jamieson, Manchester, (1972) J. Phys. F: Met. Phys., 2, p. 323Yndurain, Joannopoulos, Cohen, Falicov, (1974) Solid State Commun., 15, p. 617Yndurain, Joannopoulos, (1975) Phys. Rev., 11 B, p. 2957Salzberg, Gonçalves da Silva, Falicov, (1976) Phys. Rev., 14 B, p. 1314Falicov, Yndurain, (1975) Phys. Rev., 12 B, p. 5664Gonçalves da Silva, One-dimensional alloy transfer matrix approximation: dispersion relations and transport properties (1979) Journal of Physics C: Solid State Physics, 12, p. 48