Electronic structure of Cu{sub 1-x}Ni{sub x}Rh{sub 2}S{sub 4} and CuRh{sub 2}Se{sub 4}: Band-structure calculations, x-ray photoemission, and fluorescence measurements
- Department of Physics, University of California, Davis, California 95616-8677 (United States)
- Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620219 Yekaterinburg GSP-170, Russia (Russian Federation)
- Department of Physics, University of Osnabrueck, Osnabrueck D-49069, (Germany)
- Center for Advanced Microstructures and Devices, Louisiana State University, Baton Rouge, Louisiana 70803 (United States)
- Department of Physics, Tulane University, New Orleans, Louisiana 70118 (United States)
- Department of Materials Science and Engineering, Muroran Institute of Technology, Muroran 050-8585, (Japan)
The electronic structure of spinel-type Cu{sub 1-x}Ni{sub x}Rh{sub 2}S{sub 4} (x=0.0, 0.1, 0.3, 0.5, 1.0) and CuRh{sub 2}Se{sub 4} compounds has been studied by means of x-ray photoelectron (XPS) and fluorescent spectroscopy. Cu L{sub 3}, Ni L{sub 3}, S L{sub 2,3}, and Se M{sub 2,3} x-ray emission spectra (XES) were measured near thresholds at Beamline 8.0 of the Lawrence Berkeley Laboratory's Advanced Light Source. XES measurements of the constituent atoms of these compounds, reduced to the same binding energy scale, are found to be in excellent agreement with XPS valence bands. The calculated XES spectra which include dipole matrix elements show that the partial density of states reproduce experimental spectra quite well. States near the Fermi level (E{sub F}) have strong Rh d and S(Se) p character in all compounds. In NiRh{sub 2}S{sub 4} the Ni 3d states contribute strongly at E{sub F}, whereas in both Cu compounds the Cu 3d bands are only {approx}1 eV wide and centered {approx}2.5 eV below E{sub F}, leaving very little 3d character at E{sub F}. The density of states at the Fermi level is less in NiRh{sub 2}S{sub 4} than in CuRh{sub 2}S{sub 4}. This difference may contribute to the observed decrease, as a function of Ni concentration, in the superconducting transition temperature in Cu{sub 1-x}Ni{sub x}Rh{sub 2}S{sub 4}. The density of states of the ordered alloy Cu{sub 0.5}Ni{sub 0.5}Rh{sub 2}S{sub 4} shows behavior that is more ''split-band''-like than ''rigid-band''-like. (c) 2000 The American Physical Society.
- OSTI ID:
- 20215487
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 61, Issue 6; Other Information: PBD: 1 Feb 2000; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
74 ATOMIC AND MOLECULAR PHYSICS
X-RAY SPECTRA
PHOTOEMISSION
FLUORESCENCE SPECTROSCOPY
ELECTRONIC STRUCTURE
TRANSITION TEMPERATURE
BAND THEORY
SUPERCONDUCTIVITY
COPPER COMPOUNDS
SELENIUM COMPLEXES
SULFUR COMPLEXES
NICKEL COMPLEXES
RHODIUM COMPLEXES
SPINELS
ENERGY-LEVEL DENSITY
EXPERIMENTAL DATA
THEORETICAL DATA