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• W2080852918 abstract "Employing state-of-the-art ab initio electronic band-structure calculations, we investigate the electronic structure of an interesting pyrochlore, ${text{Pr}}_{2}{text{Ir}}_{2}{text{O}}_{7}$ exhibiting varied electronic and magnetic properties. The calculated results indicate that the derivation of the bulk properties requires consideration of spin-orbit coupling and finite on-site Coulomb interaction strength despite the fact that $text{Ir}text{ }5d$ electronic states are expected to be highly extended. $text{Ir}text{ }5d$ moment is found to be finite and couples ferromagnetically with the $text{Pr}text{ }4f$ moments. The magnetic moment and the density of states at the Fermi level depend on the direction of magnetization considered in the calculations suggesting the highly anisotropic magnetic and electronic-transport behavior for this compound consistent with the experimental observations." @default.
• W2080852918 created "2016-06-24" @default.
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• W2080852918 date "2010-07-14" @default.
• W2080852918 modified "2023-09-24" @default.
• W2080852918 title "Importance of Coulomb correlation and spin-orbit coupling in a5dpyrochlore:Pr2Ir2O7" @default.
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• W2080852918 doi "https://doi.org/10.1103/physrevb.82.035110" @default.
• W2080852918 hasPublicationYear "2010" @default.
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