Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9834317 | Journal of Magnetism and Magnetic Materials | 2005 | 4 Pages |
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
Authors
Ján Rusz, Martin DiviÅ¡,