Electronic Structure of Palladium

A detailed investigation of the electronic structure of palladium is presented in terms of two different band models: (1) ab initio calculations using the augmented-plane-wave method, and (2) calculations using the combined interpolation scheme augmented by inclusion of relativistic corrections. The width and position of the $d$-band complex are found to be particularly sensitive features of the electronic structure of palladium. A highly detailed density-of-states histogram, and estimates for the first and second derivatives of the density of states at the Fermi energy are derived. In addition, detailed comparisons are made with Fermi-surface-static susceptibility, and specific-heat experimental results. Estimates for the effects of manybody enhancements suggest that paramagnons raise the effective mass at the Fermi energy by only about 41%. Owing to the strong $s-d$ hybridization in palladium, the Fermi surface is made up almost entirely of $d$-like states. Because the Fermi energy in palladium falls near the strongly spin-orbit split levels at $X$ and $L$, spin quenching reduces the effective $g$ factor at the Fermi energy from 2 to about 1.65. This increases an estimate of the effective Stoner-enhancement factor from 10 to about 15.