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 language | English |
|---|---|
| Pages (from-to) | 4617-4635 |
| Number of pages | 19 |
| Journal | Physical Review B |
| Volume | 1 |
| Issue number | 12 |
| DOIs | |
| Publication status | Published - 1970 |
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ASJC Scopus subject areas
- Condensed Matter Physics
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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 journal › Article
}
TY - JOUR
T1 - Electronic structure of palladium
AU - Mueller, F. M.
AU - Freeman, Arthur J
AU - Dimmock, J. O.
AU - Furdyna, A. M.
PY - 1970
Y1 - 1970
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.1.4617
DO - 10.1103/PhysRevB.1.4617
M3 - Article
VL - 1
SP - 4617
EP - 4635
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 12
ER -