The crystal and magnetic structure of the magnetocaloric compound FeMnP0.5Si0.5

TL;DR

This study investigates the crystal and magnetic structures of FeMnP0.5Si0.5, revealing its ferromagnetic properties and atomic site preferences, which are relevant for magnetocaloric applications.

Contribution

The paper provides detailed neutron and X-ray diffraction analysis of FeMnP0.5Si0.5, identifying atomic site preferences and magnetic moments, advancing understanding of its magnetocaloric properties.

Findings

Crystallizes in Fe2P-type structure with magnetic moments aligned along the a-axis.

Fe atoms mainly occupy tetrahedral 3g sites, Mn atoms prefer pyramidal 3f sites.

Material is ferromagnetic with TC = 382 K and a total magnetic moment of 4.4 μB per formula unit.

Abstract

The crystal and magnetic structure of the magnetocaloric compound FeMnP0.5Si0.5 have been studied by means of neutron and X-ray powder diffraction. Single phase samples of nominal composition FeMnP0.5Si0.5 have been prepared by the drop synthesis method. The compound crystallizes in the Fe2P-type structure (P-62m) with the magnetic moments aligned along the aaxis. It is found that the Fe atoms are mainly situated in the tetrahedral 3g site while the Mn atoms prefer the pyramidal 3f position. The material is ferromagnetic (TC = 382 K) and at 296 K the total magnetic moment is 4.4 \mu B/f.u. It is shown that the magnetic moment in the 3f site is larger (2.5 \mu B) than in the 3g site (1.9 \mu B).