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Your search keyword '"Streltsov, A. V."' showing total 29 results
Start Over Author "Streltsov, A. V." Publisher pleiades publishing ltd
29 results on '"Streltsov, A. V."'

6. Cu-Site Disorder in CuAl2O4 as Studied by XPS Spectroscopy

Author

Zhidkov, I. S., Belik, A. A., Kukharenko, A. I., Cholakh, S. O., Taran, L. S., Fujimori, A., Streltsov, S. V., Kurmaev, E. Z., Zhidkov, I. S., Belik, A. A., Kukharenko, A. I., Cholakh, S. O., Taran, L. S., Fujimori, A., Streltsov, S. V., and Kurmaev, E. Z.

Abstract

The results of full study of X-ray photoelectron spectra (XPS) of spin-liquid candidate CuAl2O4 including the measurements of high-energy resolved core level (Cu 2p, Al 3p, O 1s), Cu LMM Auger and valence band spectra are presented. The comparison of obtained results with spectra of reference samples and specially performed density functional theory calculations has confirmed a finite Cu site-disorder in CuAl2O4, where about 30% of Cu2+ ions occupy the octahedral sites. Obtained valence band spectra can be used in further theoretical studies aimed on the investigation of electronic and magnetic properties of this mysterious ma-terial. © 2021, The Author(s).

Published
2021

23. Coulomb Correlation Effects in LaFeAsO: An LDA + DMFT(QMC) Study

Author

Shorikov, A. O., Korotin, M. A., Streltsov, S. V., Skornyakov, S. L., Korotin, Dm. M., and Anisimov, V. I.

Subjects
CORRELATION STRENGTHS, HUBBARD BANDS, ELECTRONIC STRUCTURE, SUB BANDS, COULOMB CORRELATIONS, METAL INSULATOR TRANSITION, FERMI ENERGIES, QUANTUM MONTE CARLO, MEAN FIELD THEORY, PSEUDO GAPS, COULOMB BLOCKADE, CRYSTAL-FIELD SPLITTING, D-ORBITALS, ORBITALS, LOWER ENERGIES, MEAN-FIELD THEORIES, FERMI LEVEL, METAL INSULATOR BOUNDARIES, METAL-INSULATOR TRANSITIONS, CRYSTAL IMPURITIES, FERMIONS, APPROXIMATION ALGORITHMS, SPECTRUM ANALYSIS, SPECTRAL FUNCTIONS, LOCAL DENSITIES, Condensed Matter::Strongly Correlated Electrons, SEMICONDUCTOR INSULATOR BOUNDARIES
Abstract

Effects of Coulomb correlation on the LaFeAsO electronic structure are investigated by the LDA + DMFT(QMC) method (combination of the local density approximation with the dynamic mean-field theory; impurity solver is a quantum Monte Carlo algorithm). The calculation results show that LaFeAsO is in the regime of intermediate correlation strength with a significant part of the spectral density moved from the Fermi energy to the Hubbard bands and far from the edge of the metal-insulator transition. Correlations affect iron d-orbitals differently. The t 2g states (xz, yz and x 2 - y 2 orbitals) have a higher energy due to crystal field splitting and are nearly half-filled. Their spectral functions have a pseudogap with the Fermi level position on the higher subband slope. The lower energy e g set (xy and 3z 2 - r 2 orbitals) have occupancies significantly larger than 1/2 with typically metallic spectral functions. © 2009 Pleiades Publishing, Ltd. The authors thank Jan Kunesˇ for his DMFT(QMC) computer codes used in the present calculations. Support by the Russian Foundation for Basic Research under grant no. RFFI-07-02-00041, the Civil Research and Development Foundation together with the Russian Ministry of science and education through program Y4-P-05-15, the Russian president grant for young scientists MK-1184.2007.2, and the Dynasty Foundation is gratefully acknowledged.

Published
2009

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