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Strong electron correlation of Re 5d electrons in $Ca_{2}FeReO_{6}$

Saitoh, T and Iwasawa, H and Kato, H and Tokura, Y and Hamada, N and Sarma, DD (2005) Strong electron correlation of Re 5d electrons in $Ca_{2}FeReO_{6}$. In: Journal of Electron Spectroscopy and Related Phenomena, 144 . pp. 337-339.


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We have investigated the electronic structure of a double perovskite $Ca_{2}FeReO_{6}$ using photoemission spectroscopy and LDA + U band structure calculations. Small spectral weight at the Fermi level observed above the metal-insulator transition temperature, gradually disappears with decreasing T, forming a small (<= 50 meV) energy gap. To reproduce this small energy gap, we require a very large effective U (U-eff) for Re (4eV) in addition to U-eff of 4 eV for Fe. From simple calculations in terms of the ionic radii, we demonstrate that the Fe-Re bandwidth is smaller than that of Fe-Mo in $Ca_{2}FeReO_{6}$, which should yield a strong electron correlation in the Re 5d bands.

Item Type: Journal Article
Publication: Journal of Electron Spectroscopy and Related Phenomena
Publisher: Elsevier Science BV
Additional Information: Copyright for this article belongs to Elsevier.
Keywords: $Ca_{2}FeReO_{6}$;Photoemission;Band-structure calculation
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 13 Jul 2005
Last Modified: 19 Sep 2010 04:19
URI: http://eprints.iisc.ac.in/id/eprint/3333

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