Fermi-Surface Parameters and Band-Structures for the Noble Metals. I. Normal-Volume Results and Herman-Skillman Potentials
- 15 February 1970
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 1 (4) , 1443-1448
- https://doi.org/10.1103/physrevb.1.1443
Abstract
Using NMR field calibration, absolute values of de Haas-van Alphen frequencies for the noble metals were obtained with an error of about 0.1%. These and other experimental results are compared with results of energy-band calculations using the Korringa-Kohn-Rostoker method and potentials derived from Herman-Skillman atomic calculations. The theoretical and experimental results agree to within about 1% for copper and 1-10% for silver, and give reasonable (considering the nonrelativistic nature of the calculations) results for gold. The results indicate that it is possible to obtain meaningful results from Herman-Skillman potentials, contrary to the conclusions of others.Keywords
This publication has 20 references indexed in Scilit:
- An APW Calculation for SilverPhysica Status Solidi (b), 1969
- Band Structure and Electronic Properties of SilverPhysical Review B, 1968
- Calculation of Constant-Energy Surfaces for Copper by the Korringa-Kohn-Rostoker MethodPhysical Review B, 1967
- Study of potentials suitable for band structure calculations of the noble metals: I. CopperProceedings of the Physical Society, 1967
- Fermi Surface of CopperPhysical Review B, 1966
- Self-Consistent-Field Dirac-Slater Wave Functions for Atoms and Ions. I. Comparison with Previous CalculationsPhysical Review B, 1965
- Photoemission Studies of Copper and Silver: ExperimentPhysical Review B, 1964
- Energy Band Structure of CopperPhysical Review B, 1963
- The Fermi surfaces of copper, silver and gold. I. The de Haas-Van alphen effectPhilosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1962
- Magnetoacoustic Measurements in the Noble Metals at 350 Mc/secPhysical Review B, 1962