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.
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container_end_page 2509
container_issue 12
container_start_page 2502
container_title Russian Journal of Physical Chemistry A
container_volume 94
creator Mikhaylovskaya, Z. A.
Buyanova, E. S.
Sokolenko, E. V.
Sliusarev, G. V.
Petrova, S. A.
Zatsepin, A. F.
description 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.
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ON THE 100th ANNIVERSARY OF URAL FEDERAL UNIVERSITY
Physical Chemistry
title Effect of Bismuth Addition on the Crystal and Electronic Structure of Strontium Molybdate
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