Electronic structure of palladium

F. M. Mueller, Arthur J Freeman, J. O. Dimmock, A. M. Furdyna

Research output: Contribution to journalArticle

289 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)4617-4635
Number of pages19
JournalPhysical Review B
Volume1
Issue number12
DOIs
Publication statusPublished - 1970

ASJC Scopus subject areas

  • Condensed Matter Physics

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    Mueller, F. M., Freeman, A. J., Dimmock, J. O., & Furdyna, A. M. (1970). Electronic structure of palladium. Physical Review B, 1(12), 4617-4635. https://doi.org/10.1103/PhysRevB.1.4617