Abstract
The results of a relativistic tight-binding energy-band model for Pt and Au, utilizing parameters derived from Smith's empirically adjusted combined interpolation scheme, are applied to calculate the one-electron contribution to various x-ray and energy-loss spectra involving and core states in these materials. These results show that the unoccupied holes in the Pt bands have predominantly character () such that the () ratio ranges from ∼3.5 within 0.5 eV of to ∼2.9 over the entire unoccupied conduction band. Taking into account dipole transition probabilities, the former ratio leads to a predicted line-strength ratio near threshold for excitations involving the and core levels in Pt. This result is in good agreement with the corresponding experimental ratios that are derived from electron energy-loss (2.5) and x-ray-absorption (2.3) spectra. Comparable agreement is obtained between the calculated and observed (electron-energy-loss) ratios in Au. The present results are applied to calculate the x-ray emission spectra in both Pt and Au and to interpret the absorption-edge data in Pt.
- Received 28 March 1980
DOI:https://doi.org/10.1103/PhysRevB.22.1663
©1980 American Physical Society