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NaOsO3: A high Neel temperature 5d oxide

Middey, S and Debnath, Saikat and Mahadevan, Priya and Sarma, DD (2014) NaOsO3: A high Neel temperature 5d oxide. In: PHYSICAL REVIEW B, 89 (13).

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Official URL: http://dx.doi.org/10.1103/PhysRevB.89.134416


The origin of a high Neel temperature in a 5d oxide, NaOsO3, has been analyzed within the mean-field limit of a multiband Hubbard model and compared with the analogous 4d oxide, SrTcO3. Our analysis shows that there are a lot of similarities in both of these oxides on the dependence of the effective exchange interaction strength (J(0)) on the electron-electron interaction strength ( U). However, the relevant value of U in each system puts them in different portions of the parameter space. Although the Neel temperature for NaOsO3 is less than that for SrTcO3, our results suggest that there could be examples among other 5d oxides that have a higher Neel temperature. We have also examined the stability of the G-type antiferromagnetic state found in NaOsO3 as a function of electron doping within GGA + U calculations and find a robust G-type antiferromagnetic metallic state stabilized. The most surprising aspect of the doped results is the rigid bandlike evolution of the electronic structure, which indicates that the magnetism in NaOsO3 is not driven by Fermi surface nesting.

Item Type: Journal Article
Additional Information: Copyright for this article belongs to AMER PHYSICAL SOC, USA.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 10 Jun 2014 11:03
Last Modified: 10 Jun 2014 11:03
URI: http://eprints.iisc.ac.in/id/eprint/49122

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