Electronic structure of palladium

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

Research output: Contribution to journalArticle

285 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

Fingerprint

Palladium
Fermi level
Electronic structure
palladium
electronic structure
Fermi surface
Fermi surfaces
estimates
energy
augmentation
histograms
Specific heat
interpolation
Quenching
Interpolation
Orbits
plane waves
quenching
specific heat
inclusions

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

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

Electronic structure of palladium. / Mueller, F. M.; Freeman, Arthur J; Dimmock, J. O.; Furdyna, A. M.

In: Physical Review B, Vol. 1, No. 12, 1970, p. 4617-4635.

Research output: Contribution to journalArticle

Mueller, FM, Freeman, AJ, Dimmock, JO & Furdyna, AM 1970, 'Electronic structure of palladium', Physical Review B, vol. 1, no. 12, pp. 4617-4635. https://doi.org/10.1103/PhysRevB.1.4617
Mueller, F. M. ; Freeman, Arthur J ; Dimmock, J. O. ; Furdyna, A. M. / Electronic structure of palladium. In: Physical Review B. 1970 ; Vol. 1, No. 12. pp. 4617-4635.
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