Zobrazeno 1 - 10
of 145
pro vyhledávání: '"Belozerov, A S"'
Autor:
Belozerov, A. S., Anisimov, V. I.
We study the influence of Coulomb correlations on spectral and magnetic properties of fcc cobalt using a combination of density functional theory and dynamical mean-field theory. The computed uniform and local magnetic susceptibilities obey the Curie
Externí odkaz:
http://arxiv.org/abs/2304.08980
Publikováno v:
Phys. Rev. B 107, 235118 (2023)
We analyze possible ways to calculate magnetic exchange interactions within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. Using the susceptibilities obtained within the ladder DMFT appro
Externí odkaz:
http://arxiv.org/abs/2212.09267
Publikováno v:
Phys. Rev. B 107, 035116, (2023)
We study electron correlations and their impact on magnetic properties of bcc vanadium by a combination of density functional and dynamical mean-field theory. The calculated uniform magnetic susceptibility {in bcc structure} is of Pauli type at low t
Externí odkaz:
http://arxiv.org/abs/2206.12383
Publikováno v:
Phys. Rev. Materials 6, 055004 (2022)
We consider electronic correlation effects and their impact on magnetic properties of tetragonally distorted chemically ordered FeCo alloys (L1$_0$ structure) being a promising candidate for rare-earth-free permanent magnets. We employ a state-of-the
Externí odkaz:
http://arxiv.org/abs/2202.03205
Publikováno v:
J. Phys.: Condens. Matter 33 385601 (2021)
We consider electronic and magnetic properties of chromium, a well-known itinerant antiferromagnet, by a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT). We find that electronic correlation effects in chromium, i
Externí odkaz:
http://arxiv.org/abs/2103.17133
Autor:
Günter, Elena A., Melekhin, Anatoliy K., Belozerov, Vladislav S., Martinson, Ekaterina A., Litvinets, Sergey G.
Publikováno v:
In International Journal of Biological Macromolecules February 2024 258 Part 2
Publikováno v:
J. Phys.: Condens. Matter 32, 385601 (2020)
We study the electronic and magnetic properties of L1$_0$ phase of FeNi, a perspective rare-earth-free permanent magnet, by using a combination of density functional and dynamical mean-field theory. Although L1$_0$ FeNi has a slightly tetragonally di
Externí odkaz:
http://arxiv.org/abs/2003.13347
Publikováno v:
Phys. Rev. B 101, 155126 (2020)
We study Coulomb correlation effects and their role in superconductivity of $\varepsilon$-iron under pressure from 12 to 33 GPa by using a combination of density functional and dynamical mean-field theory. Our results indicate a persistence of the Fe
Externí odkaz:
http://arxiv.org/abs/2002.01909
Publikováno v:
Phys. Rev. B 100, 161112 (2019)
We study the electronic structure, magnetic state, and phase stability of paramagnetic BiNiO$_3$ near a pressure-induced Mott insulator-to-metal transition (MIT) by employing a combination of density functional and dynamical mean-field theory. We obt
Externí odkaz:
http://arxiv.org/abs/1907.13176
Autor:
Anisimov, Vladimir I., Oganov, Artem R., Korotin, Dmitry M., Novoselov, Dmitry Y., Shorikov, Alexey O., Belozerov, Alexander S.
Publikováno v:
Journal of Chemical Physics; 4/14/2024, Vol. 160 Issue 14, p1-8, 8p