Magnetic and magnetoelectric properties of $A$FeF$_5$ ($A$ = Ca, Sr) spin-chain compounds

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.