Unoccupied electronic states of CuO: An oxygen 1sx-ray-absorption spectroscopy investigation
- 15 March 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (8), 4886-4890
- https://doi.org/10.1103/physrevb.39.4886
Abstract
In this article we compare the experimental O 1s x-ray-absorption (XAS) spectrum of CuO with the results of an augmented-localized-spherical-wave (ALSW) calculation with an extended basis set. By extending the basis set in the calculation, we obtain a good overall agreement between experiment and the O 2p unoccupied density of states. Discrepancies in the predicted energy position and intensity of the sharp leading feature in the XAS spectrum are briefly discussed in terms of the core-hole potential, self-energies, and hybridization.Keywords
This publication has 33 references indexed in Scilit:
- Magnetism in cupric oxideJournal of Physics C: Solid State Physics, 1988
- Resonant photo- and Auger emission at thethreshold of Cu,O, and CuOPhysical Review B, 1982
- Oxygennear-edge fine structure: An electron-energy-loss investigation with comparisons to new theory for selectedTransition-metal oxidesPhysical Review B, 1982
- Satellite structure in photoelectron and Auger spectra of copper dihalidesPhysical Review B, 1981
- Charge transfer satellites. Intensity dependence on localization of hole stateChemical Physics Letters, 1977
- X-ray photoemission satellites; surface or bulk effect?Journal of Electron Spectroscopy and Related Phenomena, 1972
- X-ray photoelectron spectroscopy of copper compoundsMolecular Physics, 1972
- X-Ray Photoemission Band Structure of Some Transition-Metal OxidesPhysical Review Letters, 1972
- A refinement of the crystal structure of copper(II) oxide with a discussion of some exceptional e.s.d.'sActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1970
- Optical Absorption of Cuprous OxidePhysical Review B, 1961