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Вид документа : Статья из журнала
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Автор(ы) : Ovchinnikov S. G., Orlov Yu. S., Kuzubov A. A., Dudnikov V. A., Sokolov A. E., Zabluda V. N., Naumov S. B., Shestakov N. P.
Заглавие : Giant red shift of the absorption spectra due to nonstoichiometry in GdCoO3–δ
Коллективы : Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [NSh-2886.2014.2]; Presidium of Russian Academy of Sciences [34]; Russian Foundation for Basic Research [16-02-00507, 16-02-00273, 16-02-00098, 14-02-00186]; Internationale Buro, Bundesministerium fur Bildung und Forschung (BMBF) [05K12GU2]
Место публикации : JETP Letters. - 2016. - Vol. 103, Is. 3. - P.161-166. - ISSN 0021-3640, DOI 10.1134/S0021364016030115. - ISSN 1090-6487(eISSN)
Примечания : Cited References:40. - This work was supported by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. NSh-2886.2014.2), by the Presidium of Russian Academy of Sciences (Program 34), by the Russian Foundation for Basic Research (project nos. 16-02-00507, 16-02-00273, 16-02-00098, and 14-02-00186), and by Internationale Buro, Bundesministerium fur Bildung und Forschung (BMBF, grant no. 05K12GU2).
Предметные рубрики: TRANSITION-METAL COMPOUNDS
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
ELECTRONIC-STRUCTURE
MAGNETIC-PROPERTIES
SPIN TRANSITION
BAND-GAPS
BASIS-SET
LaCoO3
OXIDES
Аннотация: The GdCoO3–δ perovskite is a semiconductor with the energy gap Eg ≈ 0.5 eV from electrical transport measurements. It reveals unusual optical absorption spectra without transparency window expected for semiconductors. Instead we have measured the narrow transmittance peak at the photon energy ε0 = 0.087 eV. To reconcile the transport and optical data we have studied the effect of oxygen vacancies on the electronic structure of the GdCoO3–δ. We have found that oxygen vacancies result in the in-gap states inside the charge-transfer energy gap of the GdCoO3. It is a multielectron effect due to strong electron correlations forming the electronic structure of the GdCoO3–δ. These in-gap states decrease the transparency window and result in a narrow absorption minimum. The predicted temperature dependence of the absorption spectra has been confirmed by our measurements.
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