Abstract:
The band structure and distributions of the electron and spin densities of samarium orthoferrite have been calculated within the framework of the first-principles density functional theory in the LSDA + U approximation taking into account the collinear antiferromagnetic ordering of the magnetic moments of iron and samarium cations. The possibility of inducing a ferroelectric state at temperatures below the antiferromagnetic ordering temperature of the magnetic sublattice formed by samarium cations has been considered using the results of the group-theoretical analysis. In the high-temperature range, the formation of regions with a spontaneous electric polarization is possible in the presence of additional factors that reduce the symmetry of the crystal.
Citation:
V. V. Triguk, I. I. Makoed, A. F. Ravinski, “Electronic structure and improper electric polarization of samarium orthoferrite”, Fizika Tverdogo Tela, 58:12 (2016), 2355–2360; Phys. Solid State, 58:12 (2016), 2443–2448
\Bibitem{TriMakRav16}
\by V.~V.~Triguk, I.~I.~Makoed, A.~F.~Ravinski
\paper Electronic structure and improper electric polarization of samarium orthoferrite
\jour Fizika Tverdogo Tela
\yr 2016
\vol 58
\issue 12
\pages 2355--2360
\mathnet{http://mi.mathnet.ru/ftt9740}
\elib{https://elibrary.ru/item.asp?id=27368851}
\transl
\jour Phys. Solid State
\yr 2016
\vol 58
\issue 12
\pages 2443--2448
\crossref{https://doi.org/10.1134/S1063783416120313}
Linking options:
https://www.mathnet.ru/eng/ftt9740
https://www.mathnet.ru/eng/ftt/v58/i12/p2355
This publication is cited in the following 6 articles:
A. Lemnawar, H. Labrim, S. Amraoui, S. Ziti, Y. Benhouria, I. El Bakkali, N. El Harfaoui, K. Nouneh, “Investigation of electronic, optical and thermoelectric properties in orthorhombic perovskite SmFeO3”, Physica B: Condensed Matter, 696 (2025), 416624
A. Lemnawar, H. Labrim, S. Ziti, M. Kibbou, S. Bouzakraoui, K. Nouneh, “Thermal effect on the exchange magnetic coupling of orthorhombic perovskite SmFeO3: Monte Carlo simulation and density functional theory”, Journal of Magnetism and Magnetic Materials, 2024, 172690
Danila Amoroso, Bertrand Dupé, Matthieu J. Verstraete, “Unraveling the role of Sm
4f
electrons in the magnetism of
SmFeO3”, Phys. Rev. B, 107:10 (2023)
I.I. Makoed, N.A. Liedienov, Hao Zhao, G.G. Levchenko, A.A. Amirov, G.S. Rymski, A.M. Zhivulko, K.I. Yanushkevich, “Influence of rare-earth doping on the structural and magnetic properties of orthoferrite La0.50R0.50FeO3 ceramics obtained under high pressure”, Journal of Physics and Chemistry of Solids, 170 (2022), 110926
Shahran Ahmed, Sadiq Shahriyar Nishat, Alamgir Kabir, A.K.M. Sarwar Hossain Faysal, Tarique Hasan, Shovon Chakraborty, Imtiaz Ahmed, “Structural, elastic, vibrational, electronic and optical properties of SmFeO3 using density functional theory”, Physica B: Condensed Matter, 615 (2021), 413061
I.I. Makoed, N.A. Liedienov, A.V. Pashchenko, G.G. Levchenko, D.D. Tatarchuk, Y.V. Didenko, A.A. Amirov, G.S. Rimski, K.I. Yanushkevich, “Influence of rare-earth doping on the structural and dielectric properties of orthoferrite La0.50R0.50FeO3 ceramics synthesized under high pressure”, Journal of Alloys and Compounds, 842 (2020), 155859