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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) October 31, 2015

Antisymmetric exchange in La-substituted BiFe0.5Sc0.5O3 system: symmetry adapted distortion modes approach

  • Dmitry D. Khalyavin EMAIL logo , Andrei N. Salak , Pascal Manuel , Nikolai M. Olekhnovich , Anatoly V. Pushkarev , Yury V. Radysh , Alexey V. Fedorchenko , Elena L. Fertman , Vladimir A. Desnenko and Mário G.S. Ferreira


Neutron powder diffraction measurements on the 35 % La-substituted Bi1−xLaxFe0.5Sc0.5O3 composition revealed that the samples obtained under high-pressure (6 GPa) and high-temperature (1500 K) conditions crystalize into a distorted perovskite structure with the orthorhombic Pnma symmetry and the unit cell parameters: ao = 5.6745(2) Å, bo = 7.9834(3) Å and co = 5.6310(2) Å. A long-range magnetic ordering takes place below 220 K and implies a G-type magnetic structure with the moments 4.10(4)μB per Fe aligned predominately along the orthorhombic c-axis. The space group representation theory using the orthorhombic symmetry yields four bi-linear coupling schemes for the magnetic order parameters imposed by antisymmetric exchange interactions. The couplings are analysed based on symmetry adapted distortion modes defined in respect of the undistorted cubic perovskite structure. The approach allows a quantitative estimation of the coupling strength. It is shown that the experimentally found spin configuration combines the magnetic order parameters coupled by the atomic displacement modes with the largest amplitudes. The results indicate that the antisymmetric exchange is the dominant anisotropic term which fully controls the direction of the Fe3+ spins in the distorted perovskite lattice.

Corresponding author: Dmitry D. Khalyavin, ISIS Facility, Rutherford Appleton Laboratory OX11, 0QX Didcot, UK, E-mail:


This work was supported by project TUMOCS. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 645660.


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Received: 2015-6-25
Accepted: 2015-8-21
Published Online: 2015-10-31
Published in Print: 2015-12-1

©2015 by De Gruyter

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