Theoretical study of the magnetic properties of BaNiF $$_4$$ 4

Julien Lévêque (), Elisa Rebolini (), Andrés Saúl () and Marie-Bernadette Lepetit ()
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Julien Lévêque: Aix-Marseille University
Elisa Rebolini: Institut Laue Langevin
Andrés Saúl: Aix-Marseille University
Marie-Bernadette Lepetit: Institut Néel, CNRS-UPR 2940

The European Physical Journal B: Condensed Matter and Complex Systems, 2021, vol. 94, issue 10, 1-9

Abstract: Abstract In this article we study the magnetic properties of the BaNiF $$_4$$ 4 compound using ab-initio calculations and classical Monte-Carlo methods. We discuss the physical origin of the long range magnetic order. We show that the leading exchange interactions are those of a non-frustrated anisotropic two-dimensional Heisenberg system and that long range order and the experimentally observed preferential orientation of the magnetic moments along the $$\mathbf {b}$$ b axis appear when local single-ion anisotropy contributions are added at first order. We also show that a canting of the magnetic moments appears at second order and can be written as an effective Dzyaloshinskii-Moriya interaction.

Date: 2021
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DOI: 10.1140/epjb/s10051-021-00225-5

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