Article ID Journal Published Year Pages File Type
9834317 Journal of Magnetism and Magnetic Materials 2005 4 Pages PDF
Abstract
We report on electronic structure calculations of UPtAl and UIrAl ternary uranium based intermetallic compounds. Calculations were performed in the framework of density functional theory using LDA+U exchange correlation potential. Full relaxation of U and J parameters was performed with the aim of obtaining correct total magnetic moments on uranium site. These parameters are then used in subsequent analysis of magnetic moments (including spin and orbital components) and hybridization effects.
Related Topics
Physical Sciences and Engineering Physics and Astronomy Condensed Matter Physics
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