/ A. . Shorikov, M. M. Korshunov, V. I. Anisimov> // JETP Letters. - 2011. -
Vol. 93,
Is. 2. - P. 80-85,
DOI 10.1134/S0021364011020123. - Cited References: 36. - The authors thank I. Eremin, M. Laad, and S. G. Ovchinnikov for useful discussions. A. S. and V. I. A. acknowledge the support of the Russian Foundation for Basic Research (project nos. 10-02-00046-a, 09-02-00431-a, and 10-02-00546-a), the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project nos. NSh-1941.2008.2 and MK-3758.2010.2), the Presidium of the Russian Academy of Science (programs "Quantum Microphysics of Condensed Matter" N7 and "Strongly Compressed Materials"), and the Russian Federal Agency for Science and Innovations (project no. 02.740.11.0217). M. M. K. acknowledges the support of INTAS (YS Grant no. 05-109-4891); the Russian Foundation for Basic Research (project nos. 09-02-00127, 06-02-16100, and 06-02-90537-BNTS); the Siberian Branch, Russian Academy of Sciences (integration program no. 40); the Presidium of the Russian Academy of Sciences (program no. 5.7); the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. MK-1683.2010.2); and the Ministry of Education and Science of the Russian Federation (project no. R891, federal program "Scientific and Pedagogical Personnel of Innovative Russia for 2009-2013").
. - ISSN 0021-3640
РУБ Physics, Multidisciplinary
Аннотация: Band structure of metallic sodium cobaltate Na (x) CoO2 (x = 0.33, 0.48, 0.61, 0.72) has been investigated by local density approximation + Hubbard U (LDA+U) method and within Gutzwiller approximation for the Co-t (2g) manifold. Correlation effects being taken into account results in suppression of the e' (g) hole pockets at the Fermi surface in agreement with recent angle-resolved photoemission spectroscopy (ARPES) experiments. In the Gutzwiller approximation the bilayer splitting is significantly reduced due to the correlation effects. The formation of high
spin (HS) state in Co d-shell was shown to be very improbable.
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Держатели документа: [Shorikov, A.
Anisimov, V. I.] Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia
[Korshunov, M. M.] Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
[Korshunov, M. M.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
[Korshunov, M. M.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA
ИФ СО РАН
Institute of Metal Physics Ural Division, Russian Academy of Sciences, GSP-170, Yekaterinburg 620219, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Max-Planck-Institut fur Physik komplexer Systeme, D-01187 Dresden, Germany
Department of Physics, University of Florida, Gainesville, Florida 32611, United States
Доп.точки доступа: Korshunov, M. M.; Коршунов, Максим Михайлович; Anisimov, V. I.