M. A. Korotin, N. A. Skorikov, S. L. Skornyakov, A. O. Shorikov, V. I. Anisimov, “Inclusion of effects of self-consistency of the electron density within the LDA+U+SO method implemented in the temperature Green’s function formalism in the basis of the Wannier functions”, Pis'ma v Zh. Èksper. Teoret. Fiz., 100:12 (2014), 929–934; JETP Letters, 100:12 (2014), 823

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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2014, Volume 100, Issue 12, Pages 929–934
DOI: https://doi.org/10.7868/S0370274X14240138 (Mi jetpl4505)

This article is cited in 12 scientific papers (total in 12 papers)

METHODS OF THEORETICAL PHYSICS

Inclusion of effects of self-consistency of the electron density within the LDA+U+SO method implemented in the temperature Green’s function formalism in the basis of the Wannier functions

M. A. Korotin, N. A. Skorikov, S. L. Skornyakov, A. O. Shorikov, V. I. Anisimov

Institute of Metal Physics, Ural Division of the Russian Academy of Sciences, Ekaterinburg

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DOI: https://doi.org/10.7868/S0370274X14240138

Abstract: The LDA+U+SO method (local electron density approximation + Coulomb correlations taken into account in the static mean field limit + spin-orbit interaction) has been formulated and implemented in computer codes in the temperature Green’s function formalism in the basis of the Wannier functions. A formula for the approximate inclusion of the effect of self-consistency of the electron density on the parameters of the Hamiltonian has been proposed. It has been shown that the results obtained for NiO, GdNi

_{2}

$_2$ , Pu, and US by this method are in good agreement with the results obtained by methods with the complete self-consistency of the electron density.

Received: 26.09.2014
Revised: 05.11.2014

English version:
Journal of Experimental and Theoretical Physics Letters, 2014, Volume 100, Issue 12, Pages 823–828
DOI: https://doi.org/10.1134/S0021364014240084

Bibliographic databases:

Document Type: Article

Language: Russian

Citation: M. A. Korotin, N. A. Skorikov, S. L. Skornyakov, A. O. Shorikov, V. I. Anisimov, “Inclusion of effects of self-consistency of the electron density within the LDA+U+SO method implemented in the temperature Green’s function formalism in the basis of the Wannier functions”, Pis'ma v Zh. Èksper. Teoret. Fiz., 100:12 (2014), 929–934; JETP Letters, 100:12 (2014), 823–828

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Linking options:

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This publication is cited in the following 12 articles:

Veronika M. Zainullina, Michael A. Korotin, Victor L. Kozhevnikov, Journal of Alloys and Compounds, 971 (2024), 172660
V. Zainullina, M. A. Korotin, V. L. Kozhevnikov, JETP Letters, 118:1 (2023), 51–57
V. M. Zainullina, M. A. Korotin, V. L. Kozhevnikov, Prog. Solid State Chem., 60 (2020), 100284
N. G. Zamkova, V. A. Gavrichkov, I. S. Sandalov, S. G. Ovchinnikov, JETP Letters, 109:4 (2019), 276–279
V. M. Zainullina, M. A. Korotin, V. L. Kozhevnikov, Phys. Status Solidi B-Basic Solid State Phys., 255:6 (2018), 1700442
M. A. Korotin, A. O. Anokhin, I. S. Zhidkov, A. I. Kukharenko, S. O. Cholakh, N. V. Gavrilov, V. I. Brinzari, E. Z. Kurmaev, JETP Letters, 108:8 (2018), 537–542
V. M. Zainullina, M. A. Korotin, V. L. Kozhevnikov, Solid State Commun., 284 (2018), 62–65
M. A. Korotin, N. A. Skorikov, A. O. Anokhin, Physica B, 526 (2017), 14–20
V. Zainullina, M. A. Korotin, V. L. Kozhevnikov, JETP Letters, 104:4 (2016), 269–274
Korotin M.A., Pchelkina Z.V., Skorikov N.A., Efremov A.V., Anisimov V.I., Phys. Metals Metallogr., 117:7 (2016), 655–664
M.A. Korotin, N.A. Skorikov, A.V. Efremov, A.O. Shorikov, Journal of Magnetism and Magnetic Materials, 397 (2016), 115
M. A. Korotin, V. Zainullina, V. L. Kozhevnikov, JETP Letters, 102:5 (2015), 307–311

Citing articles in Google Scholar: Russian citations, English citations
Related articles in Google Scholar: Russian articles, English articles

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