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Title: One-center Charge Transfer Transitions in Manganites
Authors: Moskvin, A. S.
Issue Date: 2002
Publisher: American Physical Society (APS)
Citation: Moskvin A. S. One-center Charge Transfer Transitions in Manganites / A. S. Moskvin // Physical Review B - Condensed Matter and Materials Physics. — 2002. — Vol. 65. — Iss. 20. — P. 1-9.
Abstract: In the framework of a rather conventional cluster approach which combines the crystal field and the ligand field models we have considered different charge transfer (CT) states and O (formula presented)-Mn (formula presented) CT transitions in (formula presented) octahedra. The many-electron dipole transition matrix elements were calculated using the Racah algebra for the cubic point group. Simple “local” approximation allowed us to calculate the relative intensity for all dipole-allowed (formula presented) and (formula presented) CT transitions. We present a self-consistent description of the CT bands in insulating stoichiometric (formula presented) compound with the only (formula presented) valent state and idealized octahedral (formula presented) centers which allows us to substantially correct the current interpretation of the optical spectra. Our analysis shows the multiband structure of the CT optical response with the weak low-energy edge at 1.7 eV, associated with forbidden (formula presented) transition and a series of the weak and strong dipole-allowed high-energy transitions starting from 2.5 and 4.5 eV, respectively, and extending up to nearly 11 eV. The most intensive features are associated with two strong composite bands near 4.6-4.7 and 8-9 eV, respectively, resulting from the superposition of the dipole-allowed (formula presented) and (formula presented) CT transitions. These predictions are in good agreement with experimental spectra. The experimental data points to a strong overscreening of the crystal field parameter (formula presented) in the CT states of (formula presented) centers. © 2002 The American Physical Society.
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85038315809
ISSN: 1098-0121
metadata.dc.description.sponsorship: Discussions with N.N. Loshkareva, Yu.P. Sukhorukov, E.A. Ganshina, V.S. Vikhnin, R. Hayn, and S.-L. Drechsler are acknowledged. The research described in this publication was supported in part by the Ministry of Science and Art of Saxony. The author would like to thank the Institut fur Festkorper- und Werkstofforschung, Dresden, where part of this work was made, for hospitality. The author acknowledges partial support from Grant No. REC-005 of the U.S. Civilian Research and Development Foundation for the Independent States of the Former Soviet Union (CRDF), Russian Ministry of Education, Grant No. E00-3.4-280 and No. UR.01.01.042 and the Russian Foundation for Basic Researches, Grant No. 01-02-96404.
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