Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/111352
Title: The Influence of the Co3+ Spin State on the Optical Properties of LaCoO3 and HoCoO3
Authors: Nomerovannaya, L. V.
Makhnev, A. A.
Streltsov, S. V.
Nekrasov, I. A.
Korotin, M. A.
Shiryaev, S. V.
Bychkov, G. L.
Barilo, S. N.
Anisimov, V. I.
Issue Date: 2004
Publisher: IOP Publishing
Citation: The Influence of the Co3+ Spin State on the Optical Properties of LaCoO3 and HoCoO3 / L. V. Nomerovannaya, A. A. Makhnev, S. V. Streltsov et al. — DOI 10.1046/j.1469-0705.2002.00734.x // Journal of Physics Condensed Matter. — 2004. — Vol. 16. — Iss. 28. — P. 5129-5136.
Abstract: The optical properties of the isoelectronic compounds LaCoC3 and HoCoO3 have been experimentally and theoretically investigated. We have measured the real (ε1(ω)) and imaginary (ε2(ω)) parts of the dielectric function, the reflectance R(ω) and the optical conductivity at room temperature. A shift of the most pronounced spectral features to the high energy region by 0.3 eV associated with larger distortions due to the smaller rare earth ionic radii in HoCoO 3 in comparison with LaCoO3 was observed. Also there was found an enhancement of the absorption intensity in the range 1.3-2.3 eV in all kinds of spectra of HoCoO3, which can be attributed on the basis of the results of LDA+U calculations to the different spin states of the Co 3+ ion in these compounds. The shift of the onset of the absorption from less than 0.1 eV in LaCoO3 to 0.7 eV in HoCoO3 and an absorption intensity enhancement in a narrow spectral range 1.2-2.6 eV in HoCoO3 are clearly seen from the calculated convolution of partial densities of states obtained in the LDA + U approach. Such changes are assumed to be induced by the different Co3+ spin states in these compounds at room temperature.
Keywords: BAND STRUCTURE
CURRENT DENSITY
ELLIPSOMETRY
HOLMIUM COMPOUNDS
MAGNETIC SUSCEPTIBILITY
METAL INSULATOR TRANSITION
PARAMAGNETISM
PERMITTIVITY
SINGLE CRYSTALS
ELECTROCHEMICAL CELL
ELLIPSOMETRIC TECHNIQUE
OPTICAL CONDUCTIVITY
SPIN STATE TRANSITION
LANTHANUM COMPOUNDS
URI: http://hdl.handle.net/10995/111352
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 3242673610
ISSN: 0953-8984
DOI: 10.1046/j.1469-0705.2002.00734.x
metadata.dc.description.sponsorship: The work was supported by the INTAS project No 01-0278, joint UrO–SO project N22 and the Russian Foundation for Basic Research through grants RFFI-04-02-16096 and RFFI-03-02-39024 (VIA, IAN, MAK). In addition, SVS acknowledges the Russian Ministry of Education and Science for grant yp.01.01.059. IAN expresses appreciation to the Dynasty Foundation and International Centre for Fundamental Physics in the Moscow Programme for Young Scientists 2004, Russian Science Support Foundation Programme for Young PhD Students of the Russian Academy of Science 2004 and for a Grant from the President of Russia for Young Scientists MK-95.2003.02. The Minsk group acknowledges the Swiss National Scientific Foundation, grant SCOPES 7BYPJ65732, and the NATO Collobarative Linkage grant PST CLG 979369.
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