Abstract
The electronic band structure, lattice vibration frequencies, and optical and magnetic properties of EuB4O7 crystal with α-SrB4O7-type structure are calculated within the density functional method. It is found that this compound is a dielectric with a band gap of the order of 4 eV. It is found that the ground state of this crystal is the state with ferromagnetic ordering of Eu2+ spins. Exchange interaction constants are calculated; the ferromagnetic ordering temperature is estimated within the molecular field approximation (T c ≈ 1 K). The EuB4O7 compound is a magnetic pyroelectric and, hence, can exhibit magnetoelectric properties. The calculated polarization change during ferromagnetic ordering of this crystal is 3973 μC/m2.
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Original Russian Text © A.S. Shinkorenko, M.S. Pavlovskii, V.I. Zinenko, 2016, published in Fizika Tverdogo Tela, 2016, Vol. 58, No. 11, pp. 2218–2223.
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Shinkorenko, A.S., Pavlovskii, M.S. & Zinenko, V.I. Calculation of the electronic structure, lattice dynamics, and optical and magnetic properties of europium tetraborate EuB4O7 . Phys. Solid State 58, 2300–2306 (2016). https://doi.org/10.1134/S1063783416110329
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DOI: https://doi.org/10.1134/S1063783416110329