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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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
Publisher:	Elsevier Science
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.ac.in/id/eprint/43756

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