Inversion of Fermi-Surface Data Using Partial-Wave Phase Shifts and Their Derivatives: An Application to the Noble Metals

Abstract

Utilizing the Korringa-Kohn-Rostoker method, we present straightforward procedures for efficiently parametrizing experimental Fermi-surface data. Useful techniques, derived from standard least-squares methods, are generated for fitting areas, cyclotron effective masses, and pressure derivatives of areas, using as adjustable parameters, phase shifts, energy derivatives of phase shifts, and lattice-constant derivatives of phase shifts, respectively. We apply these techniques to recent noble-metal Fermi-surface data and demonstrate that the quality of fit for the above quantities is highly insensitive to the assumed value of the energy parameter used in the formalism.

Conduction electron g-factor measurements in Au using the de Haas-van Alphen effect

“…Values of F, m, and X were measured experimentally at the three other zeros, and values of (1/F)~?F/30 and (02A/~k2n) -1/2 were obtained from a phase shift parameterization of the surface of Au. 21 The average gain of the system from these three calibration points had an rms error of 6 %.…”

Electronic Structure

“…This straightforward approach was one of the first to be developed Seitz, 1933, 1934;Slater 1934;Shockley, 1937), and will be discussed below (Section 1.7.1). The plane wave and localized function approaches expand all wave functions in a fixed basis set.…”

“…The degeneracy is then removed in second order, and the perturbation theory appropriate for this case must be employed (Shockley, 1950;Dresselhaus et aL, 1955;Kane, 1956). In this case, the perturbation will remove the degeneracy, at least in some directions.…”