Pandey, Sudhir K. ; Maiti, Kalobaran (2010) Importance of Coulomb correlation and spin-orbit coupling in a 5d pyrochlore: Pr2Ir2O7 Physical Review B: Condensed Matter and Materials Physics, 82 (3). 035110_1-035110_6. ISSN 1098-0121
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Official URL: http://prb.aps.org/abstract/PRB/v82/i3/e035110
Related URL: http://dx.doi.org/10.1103/PhysRevB.82.035110
Abstract
Employing state-of-the-art ab initio electronic band-structure calculations, we investigate the electronic structure of an interesting pyrochlore, Pr2Ir2O7 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 Ir 5d electronic states are expected to be highly extended. Ir 5d moment is found to be finite and couples ferromagnetically with the Pr 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.
Item Type: | Article |
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Source: | Copyright of this article belongs to The American Physical Society. |
ID Code: | 62236 |
Deposited On: | 20 Sep 2011 09:46 |
Last Modified: | 20 Sep 2011 09:46 |
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