首页|First-principle calculations of magnetic properties of Ho6(Fe,Mn)Bi2 compounds
First-principle calculations of magnetic properties of Ho6(Fe,Mn)Bi2 compounds
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The magnetic properties of Ho6MnBi2 and Ho6FeBi2 crystals are investigated by means of density functional theory.These materials are currently an active subject of research in the context of magnetic refrigeration applications since they exhibit a remarkable magnetocaloric effect.In this work,the equation of state,density of states and magnetic moments are calculated and compared with pre-vious experimental results for these materials.Also,the Curie temperatures for the paramagnetic to ferromagnetic phase transition observed in these systems are calculated from first principles.All the calculated quantities are in reasonable agreement with experimental data,which sug-gests that density functional theory could provide a reliable framework to theoretically investigate the magnetic prop-erties of intermetallic ternary compounds.
Intermetallic compoundsRare earthsMagnetic propertiesMagnetocaloric effectDensity functional theoryHeisenberg model
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