Magnetism of UPtAl and UIrAl; LDA+U calculations
作者： Ján Rusz , Martin Diviš
DOI: 10.1016/J.JMMM.2004.11.262
关键词: Spin (physics) 、 Relaxation (NMR) 、 Density functional theory 、 Magnetism 、 Electronic structure 、 Magnetic moment 、 Local-density approximation 、 Condensed matter physics 、 Ternary operation 、 Physics
摘要: Abstract We report on electronic structure calculations of UPtAl and UIrAl ternary uranium based intermetallic compounds. Calculations were performed in the framework density functional theory using LDA + U exchange correlation potential. Full relaxation J parameters was with aim obtaining correct total magnetic moments site. These are then used subsequent analysis (including spin orbital components) hybridization effects.
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