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Fizika Tverdogo Tela, 2017, Volume 59, Issue 3, Pages 483–490
DOI: https://doi.org/10.21883/FTT.2017.03.44158.256
(Mi ftt9639)
 

This article is cited in 11 scientific papers (total in 11 papers)

Dielectrics

Experimental investigation and ab initio calculation of the properties of Sc-, In-doped bismuth titanates with the pyrochlore type structure

A. G. Krasnova, I. R. Sheinb, I. V. Piira

a Institute of Chemistry of the Komi Scientific Centre, Urals Branch of the Russian Academy of Sciences, Syktyvkar
b Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Ekaterinburg
Abstract: Using ab initio calculations, the data have been obtained on the structural, electronic, and optical properties of bismuth titanates with the pyrochlore type structure and compounds with the substitution of scandium or indium atoms for bismuth and titanium atoms. The results of the theoretical calculations agree with the experimentally obtained structural and optical characteristics of the synthesized compounds doped with scandium or indium. It has been shown that the substitution of scandium or indium atoms for bismuth atoms in the pyrochlore structure is energetically favorable. The energies corresponding to the direct and indirect electronic transitions in scandium- and indium-doped bismuth titanates have been determined based on the optical spectroscopy data obtained for the studied samples. These energies are in agreement with the theoretically calculated values.
Received: 24.08.2016
English version:
Physics of the Solid State, 2017, Volume 59, Issue 3, Pages 495–503
DOI: https://doi.org/10.1134/S1063783417030192
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: A. G. Krasnov, I. R. Shein, I. V. Piir, “Experimental investigation and ab initio calculation of the properties of Sc-, In-doped bismuth titanates with the pyrochlore type structure”, Fizika Tverdogo Tela, 59:3 (2017), 483–490; Phys. Solid State, 59:3 (2017), 495–503
Citation in format AMSBIB
\Bibitem{KraShePii17}
\by A.~G.~Krasnov, I.~R.~Shein, I.~V.~Piir
\paper Experimental investigation and ab initio calculation of the properties of Sc-, In-doped bismuth titanates with the pyrochlore type structure
\jour Fizika Tverdogo Tela
\yr 2017
\vol 59
\issue 3
\pages 483--490
\mathnet{http://mi.mathnet.ru/ftt9639}
\crossref{https://doi.org/10.21883/FTT.2017.03.44158.256}
\elib{https://elibrary.ru/item.asp?id=29006146}
\transl
\jour Phys. Solid State
\yr 2017
\vol 59
\issue 3
\pages 495--503
\crossref{https://doi.org/10.1134/S1063783417030192}
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  • https://www.mathnet.ru/eng/ftt/v59/i3/p483
  • This publication is cited in the following 11 articles:
    1. Supriya Subramani, “Review–Design and Doping Strategies of Bi2Ti2O7 Pyrochlores for Elevating Dielectric Properties”, ECS J. Solid State Sci. Technol., 14:1 (2025), 013002  crossref
    2. Venkatesan Jayaraman, Chinnadurai Ayappan, Ganesh Vattikondala, Alagiri Mani, “Preparation and characterization of the Cu, Fe co-doped Bi2Ti2O7/EG-g-C3N4 material for organic model pollutants removal under direct sun light irradiation”, Materials Research Bulletin, 143 (2021), 111439  crossref
    3. Anu, Kamlesh Yadav, Anurag Gaur, Krishna Kanta Haldar, “Effect of oxygen vacancies, lattice distortions and secondary phase on the structural, optical, dielectric and ferroelectric properties in Cd-doped Bi2Ti2O7 nanoparticles”, Materials Research Bulletin, 141 (2021), 111373  crossref
    4. Mourad Boujnah, Elizabeth Chavira, “Enhanced the physical properties through the oxygen vacancy in (Eu1-xScx)2Zr2O7 Zirconate pyrochlore”, Optical Materials, 110 (2020), 110499  crossref
    5. L. T. Denisova, Yu. F. Kargin, L. G. Chumilina, N. V. Belousova, V. M. Denisov, “Heat Capacity of Compounds in the Bi2O3–TiO2 System”, Inorg Mater, 56:6 (2020), 597  crossref
    6. Hisanori Yamane, Ryota Yagi, Takahiro Yamada, “Pyrochlore-type oxide solid solutions: (Bi1-xGax)2-dTi2O7-3d/2”, J. Mater. Chem. C, 8:2 (2020), 663  crossref
    7. Aleksei G. Krasnov, Maxim S. Napalkov, Maxim I. Vlasov, Mariia S. Koroleva, Igor R. Shein, Irina V. Piir, “Photocatalytic Properties of Bi2–xTi2O7–1.5x (x = 0, 0.5) Pyrochlores: Hybrid DFT Calculations and Experimental Study”, Inorg. Chem., 59:17 (2020), 12385  crossref
    8. A.G. Krasnov, A.A. Kabanov, N.A. Kabanova, I.V. Piir, I.R. Shein, “Ab initio modeling of oxygen ion migration in non-stoichiometric bismuth titanate pyrochlore Bi1.5Ti2O6.25”, Solid State Ionics, 335 (2019), 135  crossref
    9. Aleksei G. Krasnov, Mariia S. Koroleva, Maxim I. Vlasov, Igor R. Shein, Irina V. Piir, Dina G. Kellerman, “Ab Initio and Experimental Insights on Structural, Electronic, Optical, and Magnetic Properties of Cr-Doped Bi2Ti2O7”, Inorg. Chem., 58:15 (2019), 9904  crossref
    10. A.G. Krasnov, I.R. Shein, I.V. Piir, Y.I. Ryabkov, “Bismuth titanate pyrochlores doped by alkaline earth elements: First-principles calculations and experimental study”, Solid State Ionics, 317 (2018), 183  crossref
    11. I. Hase, T. Yanagisawa, K. Kawashima, “Computational Design of Flat-Band Material”, Nanoscale Res Lett, 13:1 (2018)  crossref
    Citing articles in Google Scholar: Russian citations, English citations
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