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Valence band electronic structure of Nd1-xYxMnO3 using X-ray absorption, photoemission and GGA plus U calculations
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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2013 (English)In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, Vol. 189, 51-55 p.Article in journal (Refereed) Published
Abstract [en]

The electronic structures of Nd1-xYxMnO3 (x=0-0.5) were studied using X-ray absorption near-edge structure (XANES) at the Mn L-3,L-2- and O K-edge along with valence-band photoemission spectroscopy (VB-PES). The systematic increase in white-line intensity of the Mn L-3,L-2-edge with doping, suggests a decrease in the occupancy of Mn 3d orbitals. The O K-edge XANES shows a depletion of unoccupied states above the Fermi energy. The changes in the O K-edge spectra due to doping reflects an increase in the Jahn-Teller distortion. The VB-PES shows broadening of the features associated with Mn 3d and O 2p hybridized states and the shift of these features to a slightly higher binding energy in agreement with our GGA + U calculations. The system shows a net shift of the occupied and unoccupied states away from the Fermi energy with doping. The shift in theoretical site-projected density of states of x=0.5 composition with respect to x=0 suggest a subtle change from a charge transfer to Mott-Hubbard type insulator. (C) 2013 Elsevier B.V. All rights reserved.

Place, publisher, year, edition, pages
2013. Vol. 189, 51-55 p.
Keyword [en]
X-ray absorption, Photoemission, Density of states, Strongly correlated systems
National Category
Natural Sciences
URN: urn:nbn:se:uu:diva-218346DOI: 10.1016/j.elspec.2013.07.001ISI: 000329423000010OAI: oai:DiVA.org:uu-218346DiVA: diva2:695438
Available from: 2014-02-11 Created: 2014-02-11 Last updated: 2014-02-11Bibliographically approved

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Bhattacharjee, Satadeep
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