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|Title:||Correlation Effects in Ni3d States of LaNiPO|
|Authors:||Lukoyanov, A. V.|
Skornyakov, S. L.
McLeod, J. A.
Wilks, R. G.
Kurmaev, E. Z.
Skorikov, N. A.
Izyumov, Yu. A.
Finkelstein, L. D.
Anisimov, V. I.
|Publisher:||American Physical Society (APS)|
|Citation:||Correlation Effects in Ni3d States of LaNiPO / A. V. Lukoyanov, S. L. Skornyakov, J. A. McLeod et al. // Physical Review B - Condensed Matter and Materials Physics. — 2010. — Vol. 81. — Iss. 23. — 235121.|
|Abstract:||The electronic structure of the new superconducting material LaNiPO experimentally probed by soft x-ray spectroscopy and theoretically calculated by the combination of local density approximation with dynamical mean-field theory are compared herein. We have measured the Ni L2,3 x-ray emission and absorption spectra which probe the occupied and unoccupied Ni3d states, respectively. In LaNiPO, the Ni3d states are strongly renormalized by dynamical correlations and shifted about 1.5 eV lower in the valence band than the corresponding Fe3d states in LaFeAsO. We further obtain a lower Hubbard band at -eV below the Fermi level in LaNiPO which bears striking resemblance to the lower Hubbard band in the correlated oxide NiO, while no such band is observed in LaFeAsO. These results are also supported by the intensity ratio between the transition metal L2 and L3 bands measured experimentally to be higher in LaNiPO than in LaFeAsO, indicating the presence of the stronger electron correlations in the Ni3d states in LaNiPO in comparison with the Fe3d states in LaFeAsO. These findings are in accordance with resonantly excited transition metal L3 x-ray emission spectra which probe occupied metal 3d states and show the appearance of the lower Hubbard band in LaNiPO and NiO and its absence in LaFeAsO. © 2010 The American Physical Society.|
|metadata.dc.description.sponsorship:||The authors thank J. Kuneš for providing the DMFT code and P. Werner for the CT-QMC impurity solver used in our calculations. This work was supported by the Research Council of the President of the Russian Federation (Grant No. NSH-4711.2010.2), the Russian Science Foundation for Basic Research (Projects No. 08-02-00148, No. 10-02-00046, and No. 10-02-00546), the Natural Sciences and Engineering Research Council of Canada (NSERC) and the Canada Research Chair program, Russian Federal Agency for Science and Innovations (Program “Scientific and Scientific-Pedagogical Training of the Innovating Russia” for 2009–2010 years), Grant No. 02.740.11.0217, the Dynasty Foundation.|
|Appears in Collections:||Научные публикации, проиндексированные в SCOPUS и WoS CC|
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