Covalency a Pathway for Achieving High Magnetisation in $TMF{e}_2{O}_4$ Compounds

Abstract

The interplay between covalency and magnetism is non-trivial and can be harnessed for designing new functional magnetic materials. Based on a survey using density functional calculations, we show that $TM\unicode{x2013}O$ bond covalency can increase the total magnetic moment of spinel compounds of $TMF{e}_2{O}_4$ composition ($TM=V-Ni,Nb-Pd$) which are isomorphic to the much-researched magnetite. Accordingly, $PdF{e}_2{O}_4$ was found to exhibit the highest magnetic moment of 7.809 ${\mu }_B$ per formula unit which is approximately twice that of $F{e}_3{O}_4$ with $T_c$ predicted to be well above ambient. We further propose a practical method for synthesising $PdF{e}_2{O}_4$.

5 pages, three figures. 2 tables

References in corpus (5)

• Theory of inter-edge superexchange in zigzag edge magnetism
• Covalent bonding and magnetism in cuprates
• Covalent bonds against magnetism in transition metal compounds
• Electronic Orders in the Verwey Structure of Magnetite
• Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6

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