论文标题
在$ tmfe_2o_4 $化合物中实现高磁化的共价途径
Covalency a Pathway for Achieving High Magnetisation in $TMFe_2O_4$ Compounds
论文作者
论文摘要
共价和磁性之间的相互作用是非平凡的，可以用于设计新的功能磁性材料。基于使用密度功能计算的调查，我们表明$ tm \ unicode {x2013} o $债券的共价可以增加尖晶石化合物的总磁矩为$ tmfe_2o_4 $组成（$ tm = v-ni，nb-pd $），这对大量验证的大型Magnetite是同性恋。因此，发现$ pdfe_2o_4 $显示出最高的磁矩为7.809 $μ_b$每个配方单元，约为$ fe_3o_4 $的两倍，预计$ t_c $远高于环境。我们进一步提出了一种合成$ PDFE_2O_4 $的实用方法。
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 $TMFe_2O_4$ composition ($TM = V-Ni, Nb-Pd$) which are isomorphic to the much-researched magnetite. Accordingly, $PdFe_2O_4$ was found to exhibit the highest magnetic moment of 7.809 $μ_B$ per formula unit which is approximately twice that of $Fe_3O_4$ with $T_c$ predicted to be well above ambient. We further propose a practical method for synthesising $PdFe_2O_4$.
