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Conduction band polarization in some CMR materials Evolving guidelines for new systems

Felser, Claudia and Seshadri, Ram (2000) Conduction band polarization in some CMR materials Evolving guidelines for new systems. In: International Journal of Inorganic Materials, 2 (6). pp. 677-685.

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First principles electronic structure calculations reveal certain important common features in the conduction band polarization of many of the newly examined colossal magnetoresistance (CMR) materials. Most CMR compounds seem to possess a localized, magnetic band slightly below the Fermi energy. This localized band transfers polarization to a relatively broad conduction band. The nature of the two bands in different systems can be quite distinct. In the perovskite-derived manganese oxides, the magnetic band is derived from $Mn t_{2g}$ states while the conduction band is derived from Mn e states. In the chalcospinel $Fe_{^0.^5}$ $Cu_{^0.^5}$ $Cr_{2}$$ S_{4}$ , the $Crt_{2g}$ states which are below $E _{F}$ polarize conducting Fe d states. In Gd metal and the newly discovered CMR material GdI , the metallic Gd d states are polarized by the 2 underlying f levels. In double perovskites (elpasolites) such as $Sr_{2}$ $FeMoO_{6}$ , Fe states similarly polarize the broader Mo-derived conducting d states. In the pyrochlore $Tl_{2}$ $ Mn_{2}$$ O_{7}$ , localized, magnetic Mn d states polarize the conduction band derived from bonding Tl–O states. In all the systems except Gd metal, the conduction band seems to be strongly spin differentiated. The systematics obtained here provide guidelines for the design of new CMR systems.

Item Type: Journal Article
Publication: International Journal of Inorganic Materials
Publisher: Elsevier
Additional Information: Copyright of this article belongs to Elsevier.
Keywords: Magnetic materials;Inorganic compounds;Electrical properties.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 24 Dec 2008 05:15
Last Modified: 19 Jul 2015 05:57
URI: http://eprints.iisc.ac.in/id/eprint/16681

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