Calculation of <i>g</i>-factors of conduction electrons in fcc transition metals rhodium and iridium by using TB-RLMTO formalism

Theoretical studies of the g-factors of conduction electrons in 4d- and 5d- transition metals rhodium and iridium having an fcc crystal structure are studied by using two ("o"- and "γ"-) representations of the TB–RLMTO method. A considerable anisotropy of the orbital g-factors on X3 and X4 sheets of the Fermi surface is observed. It is shown that both for rhodium and iridium, the rougher "orthogonal" representation can be used quite successfully for describing the integral nature of the spectrum. A comparison is made with the experimental data obtained from de Haas–van Alphen studies in order to obtain an estimate for the exchange enhancement factor for several orbits on some sheets of the Fermi surface in rhodium and iridium. For the characteristic extremal orbits on all sheets of the Fermi surface, the local g-factors of conduction electrons are compared with the variation of the reduced energy spectrum and the local partial densities of the wave function along the extremal orbits.

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