Abstract
Fluorides in general are characterized by big variety of crystal structures, whereas those containing transition metals also often show sizable magnetic properties. The tendency of fluorine to form linear chain structures in many cases results in low-dimensional magnetism. Despite the plethora of magnetic phenomena in fluorides, their magnetoelectric properties are less studied than those of oxides. In the present work we theoretically study the magnetic and magnetoelectric properties of spin-chain compounds CaFeF$_5$ and SrFeF$_5$. The density functional theory is employed for determination of magnetic exchange constants, which are then used in Monte Carlo calculations. The symmetry analysis reveals that CaFeF$_5$ does not show magnetoelectric properties, whereas SrFeF$_5$ is a multiferroic.
Highlights
Multiferroics and magnetoelectrics continue to be one of the focal points in condensed matter physics due to promising practical applications
We find the magnetic exchange constants using the density functional theory, which are used in Monte Carlo calculations
Our calculations show that in CaFeF5 this results in magnetic ordering with k = (1/2, 0, 0), which does not permit magnetoelectric properties, whereas in SrFeF5 a modulated magnetic structure is realized resulting in multiferroic behavior
Summary
Multiferroics and magnetoelectrics continue to be one of the focal points in condensed matter physics due to promising practical applications. In magnetism lowdimensional systems continue to serve as playground to explore exotic quantum phenomena such as spin liquids, Bose-Einstein condensation, or spin-Peierls transition [2]. Such quantum phenomena can be tuned, changed, or completely destroyed by small external influences. Many fluoride compounds have already been shown to exhibit multiferroic properties and the available experimental data were summarized in recent reviews [5, 6], most of the compounds are the, so-called, type-I multiferroics with magnetic and electric subsystems ordering independently [7]. Supplemented with the symmetry analysis, the study reveals the magnetic and magnetoelectric properties of these fluorides
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