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    Title: Valence band electronic structure of Nd1−xYxMnO3 using X-ray absorption, photoemission and GGA + U calculations
    Authors: Padmanabhan Balasubramaniana;Harikrishnan S. Nair;Tsai, H. M.;S. Bhattacharjee;Liu, M. T.;Ruchika Yadav;chiou, J. W.;Lin, H. J.;Pi, T. W.;Tsai, M. H.;Suja Elizabeth;Pao, C. W.;Wang, B. Y.;Chuang, C. H.;Pong, W. F.
    Contributors: 淡江大學物理學系
    Keywords: X-ray absorption;Photoemission;Density of states;Strongly correlated systems
    Date: 2013-08-01
    Issue Date: 2014-03-19 16:59:19 (UTC+8)
    Publisher: Amsterdam: Elsevier BV
    Abstract: The electronic structures of Nd1−xYxMnO3 (x = 0–0.5) were studied using X-ray absorption near-edge structure (XANES) at the Mn L3,2- and O K-edge along with valence-band photoemission spectroscopy (VB-PES). The systematic increase in white-line intensity of the Mn L3,2-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.
    Relation: Journal of Electron Spectroscopy and Related Phenomena 189, pp.51–55
    DOI: 10.1016/j.elspec.2013.07.001
    Appears in Collections:[物理學系暨研究所] 期刊論文

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