Doping an antiferromagnetic insulator: A route to an antiferromagnetic metallic phase

Pandey, S K and Mahadevan, Priya and Sarma, D D (2017) Doping an antiferromagnetic insulator: A route to an antiferromagnetic metallic phase. In: EPL, 117 (5).

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Abstract

We have explored doping electrons into an antiferromagnetic (AFM) insulator as a route to realizing an AFM metal within a multiband Hubbard model. Considering parameters relevant for a 5d transition metal oxide with a half-filled t(2g) band we find that an AFM metallic phase is stabilized for occupancies up to 3.375 electrons per transition metal site for values of U up to 1.75 eV. At higher values of U, one has a charge-ordered insulating state. In contrast, the large Hund coupling associated with the 3d transition metal oxides does not allow for an AFM metallic phase for the concentrations examined. One has a ferromagnetic metallic phase for the 3d oxide for small values of U at 25% doping, however, at large values, one again finds charge ordering. Orbital degeneracy is found to play an important role, introducing the charge-ordered insulating phase into the phase diagram. Copyright (C) EPLA, 2017

Item Type:	Journal Article
Publication:	EPL
Additional Information:	Copy right for this article belongs to the EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY, 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	10 Jun 2017 04:40
Last Modified:	10 Jun 2017 04:40
URI:	http://eprints.iisc.ac.in/id/eprint/57180

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