Article ID Journal Published Year Pages File Type
7956650 Computational Condensed Matter 2018 5 Pages PDF
Abstract
Room temperature multiferroic Bi0.75Sm0.25FeO3 samples were synthesized using a solid-state reaction method under high-pressure conditions (∼4 GPA). The calculations of band structure, electronic and spin densities distribution of Bi0.75Sm0.25FeO3 multiferroic were performed using the local spin-density approximation plus Hubbard U (LSDA+U) method in the framework of density functional theory. The calculations took into account a collinear antiferromagnetic ordering of the Fe and Sm magnetic moments. Temperature and field dependencies of the specific magnetization were investigated and correlated to the electronic structure of the multiferroic sample.
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