Saitoh, T. ; Iwasawa, H. ; Kato, H. ; Tokura, Y. ; Hamada, N. ; Sarma, D. D. (2005) Strong electron correlation of Re 5d electrons in Ca2FeReO6 Journal of Electron Spectroscopy and Related Phenomena, 144-14 . pp. 337-339. ISSN 0368-2048
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related 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 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 (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: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Ca2FeReO6; Photoemission; Band-structure Calculation |
| ID Code: | 46474 |
| Deposited On: | 04 Jul 2011 10:52 |
| Last Modified: | 18 May 2016 02:20 |
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