Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Poteryaev, Alexander I."'
Publikováno v:
Phys. Rev. B 99, 045115 (2019)
We investigate the violation of the first Hund's rule in 4$d$ and 5$d$ transition metal oxides that form solids of dimers. Bonding states within these dimers reduce the magnetization of such materials. We parametrize the dimer formation with realisti
Externí odkaz:
http://arxiv.org/abs/1809.07989
Publikováno v:
Phys. Rev. B 98, 165145 (2018)
The electronic and magnetic properties of recently discovered new important constituent of the Earth's lower mantle FeO2H were investigated by means of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). Addition o
Externí odkaz:
http://arxiv.org/abs/1803.04255
Publikováno v:
Phys. Rev. B 93, 205135 (2016)
We use a combination of the coherent potential approximation and dynamical mean field theory to study magnetic properties of the Fe$_{1-x}$Ni$_x$ alloy from a first principles. Calculated uniform magnetic susceptibilities have a Curie-Weiss-like beha
Externí odkaz:
http://arxiv.org/abs/1511.08625
Publikováno v:
J. Phys.: Condens. Matter 27, 165601 (2015)
The band structure calculations in the GGA+U approximation show the presence of additional lattice distortions in the magnetically ordered phase of AgCrS$_2$. The magnetostriction leads to formation of the long and short Cr-Cr bonds in the case when
Externí odkaz:
http://arxiv.org/abs/1411.7555
Autor:
Poteryaev, Alexander I., Skornyakov, Sergey V., Belozerov, Alexander S., Anisimov, Vladimir I.
The thermodynamic properties of strongly correlated system with binary type of disorder are investigated using the combination of the coherent potential approximation and dynamical mean-field theory. The specific heat has a peak at small temperatures
Externí odkaz:
http://arxiv.org/abs/1411.4775
Publikováno v:
Phys. Rev. B 85, 235136 (2012)
The valence-band spectrum of the ferromagnetic nickel is calculated using the LDA+DMFT method. The auxiliary impurity model emerging in the course of the calculations is discretized and solved with the exact diagonalization, or, more precisely, with
Externí odkaz:
http://arxiv.org/abs/1202.6595
Publikováno v:
Phys. Rev. B 78, 045115 (2008) (11 pages)
We investigate a quarter-filled two-band Hubbard model involving a crystal-field splitting, which lifts the orbital degeneracy as well as an inter-orbital hopping (inter-band hybridization). Both terms are relevant to the realistic description of cor
Externí odkaz:
http://arxiv.org/abs/0801.4356
Akademický článek
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Autor:
Zhidkov, Ivan S., Akbulatov, Azat F., Poteryaev, Alexander I., Kukharenko, Andrey I., Rasmetyeva, Alexandra V., Frolova, Lyubov A., Troshin, Pavel A., Kurmaev, Ernst Z.
Publikováno v:
Coatings (2079-6412); Apr2023, Vol. 13 Issue 4, p784, 8p
Autor:
Shorikov, Alexey O., Skornyakov, Sergey L., Anisimov, Vladimir I., Streltsov, Sergey V., Poteryaev, Alexander I.
Publikováno v:
Molecules, Vol 25, Iss 2211, p 2211 (2020)
Molecules
Volume 25
Issue 9
Molecules
Volume 25
Issue 9
Recent discoveries of various novel iron oxides and hydrides, which become stable at very high pressure and temperature, are extremely important for geoscience. In this paper, we report the results of an investigation on the electronic structure and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::df07aa1f5b815e8b327ba86d9498b20d
https://www.mdpi.com/1420-3049/25/9/2211
https://www.mdpi.com/1420-3049/25/9/2211