D-ELECTRON CONTRIBUTIONS TO THE POSITIVE HALL-COEFFICIENT OF DISORDERED METALS

A theoretical study of the Hall coefficient of disordered transition metals is attempted using a rigorous formula for the Hall conductivity derived by Itoh (Phys. Rev. B, 45 (1992) 4241) combined with the Green function method. Using the linear combination of atomic orbitals (LCAO) representation with the s- and d-orbitals included, it is shown that a positive Hall coefficient can result depending on the position of the Fermi level and the LCAO parameters, without assuming spin-orbit coupling. The theory has been applied to liquid Fe and Zr, with positive values of the Hall coefficient being obtained in both cases, although its magnitude is very small in the latter case.