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Strong electron correlation of Re 5d electrons in Ca2FeReO6

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 Ca2FeReO6. In: Proceeding of the Fourteenth International Conference on Vacuum Ultraviolet Radiation Physics, JUL 19-23, 2004, Cairns, AUSTRALIA.

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Official URL: http://dx.doi.org/10.1016/j.elspec.2005.01.217

Abstract

We have investigated the electronic structure of a double perovskite Ca2FeReO6 using photoemission spectroscopy and LDA+U bandstructure 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 (Ueff) for Re (4 eV) in addition to Ueff 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 Ca2FeMoO6, which should yield a strong electron correlation in the Re 5d bands.

Item Type: Conference Paper
Additional Information: Copyright of this article belongs to Elsevier Science.
Keywords: Ca2FeReO6;Photoemission;Band-structure calculation
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 08 Mar 2012 07:57
Last Modified: 08 Mar 2012 07:57
URI: http://eprints.iisc.ernet.in/id/eprint/43756

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