Electronic and magnetic structure of RScO{sub 3} (R=Sm,Gd,Dy) from x-ray spectroscopies and first-principles calculations

Journal Article · Sun Mar 15 00:00:00 EDT 2009 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PHYSREVB.79.125114· OSTI ID:21192557

Raekers, M; Bartkowski, S; Prinz, M; Neumann, M ^[1]; Kuepper, K; Potzger, K; Zhou, S ^[2]; Postnikov, A V ^[3]; Arulraj, A; Stuesser, N ^[4]; Uecker, R ^[5]; Yang, W L ^[6]

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1. Department of Physics, University of Osnabrueck, D-49069 Osnabrueck (Germany)
2. Institute of Ion Beam Physics and Materials Research, Forschungszentrum Dresden-Rossendorf, P.O. Box 51 01 19, D-01314 Dresden (Germany)
3. Laboratoire de Physique des Milieux Denses, Unversite Paul Verlaine, 1 Boulevard Arago, F-57078 Metz (France)
4. Department of Magnetism, Hahn-Meitner-Institut, Berlin, Glienicker Strasse 100, 14109 Berlin (Germany)
5. Institute for Crystal Growth, Max-Born-Street 2, D-12489 Berlin (Germany)
6. Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

The electronic structures of SmScO{sub 3}, GdScO{sub 3}, and DyScO{sub 3} are investigated by means of x-ray photoelectron spectroscopy, x-ray emission spectroscopy (XES), and x-ray absorption spectroscopy (XAS). A strong hybridization between Sc 3d and O 2p is found, and a contribution of the rare-earth 5d states to this hybridization is not excluded. The band gaps of the compounds are determined by combining XES and XAS measurements. For SmScO{sub 3}, GdScO{sub 3}, and DyScO{sub 3} the band gaps were determined to be 5.6, 5.8, and 5.9 eV, respectively. Magnetization versus temperature measurements reveal antiferromagnetic coupling at 2.96 (SmScO{sub 3}), 2.61 (GdScO{sub 3}), and 3.10 K (DyScO{sub 3}). For DyScO{sub 3} a Rietveld refinement of a 2 K neutron-diffraction data set gives the spin arrangement of Dy in the Pbnm structure (Shubnikov group: Pb{sup '}n{sup '}m{sup '})

• OSTI ID: 21192557
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Vol. 79, Issue 12; Other Information: DOI: 10.1103/PhysRevB.79.125114; (c) 2009 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION SPECTROSCOPY
ANTIFERROMAGNETISM
COUPLING
DYSPROSIUM COMPOUNDS
ELECTRONIC STRUCTURE
EMISSION SPECTRA
EMISSION SPECTROSCOPY
ENERGY GAP
GADOLINIUM COMPOUNDS
MAGNETIC PROPERTIES
MAGNETIZATION
NEUTRON DIFFRACTION
ORTHORHOMBIC LATTICES
OXYGEN COMPOUNDS
RARE EARTHS
SAMARIUM COMPOUNDS
SCANDIUM COMPOUNDS
SIMULATION
SPIN
TEMPERATURE RANGE 0000-0013 K
X RADIATION
X-RAY PHOTOELECTRON SPECTROSCOPY
X-RAY SPECTRA
X-RAY SPECTROSCOPY