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.
PDF
Strong_electron.pdf - Published Version Restricted to Registered users only Download (192kB) | Request a copy |
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 |
Actions (login required)
View Item |