Effect of Bismuth Addition on the Crystal and Electronic Structure of Strontium Molybdate

Effect of Bismuth Addition on the Crystal and Electronic Structure of Strontium Molybdate

A series of bismuth-substituted compounds based on SrMoO 4 and corresponding to general formula Sr 1−3 x Bi 2 x MoO 4 is examined. Based on data from X-ray powder diffraction, a structural model is proposed for samples characterized by high contents of bismuth ( x ≥ 0.20). The density of states near...

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Veröffentlicht in:Russian Journal of Physical Chemistry A 2020-12, Vol.94 (12), p.2502-2509
Hauptverfasser: Mikhaylovskaya, Z. A., Buyanova, E. S., Sokolenko, E. V., Sliusarev, G. V., Petrova, S. A., Zatsepin, A. F.
Format: Artikel
Sprache:eng
Schlagworte:
Chemistry
Chemistry and Materials Science
ON THE 100th ANNIVERSARY OF URAL FEDERAL UNIVERSITY
Physical Chemistry
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Zusammenfassung:A series of bismuth-substituted compounds based on SrMoO 4 and corresponding to general formula Sr 1−3 x Bi 2 x MoO 4 is examined. Based on data from X-ray powder diffraction, a structural model is proposed for samples characterized by high contents of bismuth ( x ≥ 0.20). The density of states near the band gap is calculated from first principles. Results from calculating the band gap width of crystals are compared to data obtained from reflection spectra.
ISSN:0036-0244
1531-863X
DOI:10.1134/S0036024420120201