2px-ray absorption of 3dtransition-metal compounds: An atomic multiplet description including the crystal field
- 15 September 1990
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 42 (9) , 5459-5468
- https://doi.org/10.1103/physrevb.42.5459
Abstract
The metal 2p x-ray-absorption spectra (or edges) of 3d transition-metal compounds are calculated, using atomic multiplet theory with inclusion of the cubic crystal field. A general overview of the effect of the cubic crystal field on the shape of the 3 to 23 excitation spectrum is given for 14 common valencies of 3d transition-metal ions. Comparison to some high-resolution 2p x-ray-absorption spectra shows excellent agreement, which confirms the validity of the approach. Possible refinements of the theory, including lower-symmetry calculations and the inclusion of configuration interaction, are discussed.
Keywords
This publication has 18 references indexed in Scilit:
- Concept and design procedure for cylindrical element monochromators for synchrotron radiationNuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1987
- A UNIFYING SCHEME OF INTERPRETATION OF X-RAY ABSORPTION SPECTRA BASED ON THE MULTIPLE SCATTERING THEORYLe Journal de Physique Colloques, 1986
- The high energy plane grating monochromators at BESSYNuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1986
- A 10 m grazing incidence monochromator for high resolution soft X-ray spectroscopy at the photon factoryNuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 1986
- Band-structure approach to the x-ray spectra of metalsPhysical Review B, 1984
- The Theory of Atomic Structure and SpectraPublished by University of California Press ,1981
- Point Group Symmetry ApplicationsPublished by Springer Nature ,1981
- Calculation of j and jm symbols for arbitrary compact groups. I. MethodologyInternational Journal of Quantum Chemistry, 1976
- Theoretical Calculation of Atomic Spectra Using Digital Computers*Journal of the Optical Society of America, 1968
- Racah Algebra for an Arbitrary GroupJournal of Mathematical Physics, 1965