Zobrazeno 1 - 10
of 366
pro vyhledávání: '"Leonov, I."'
Autor:
Leonov, I. V.
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the electronic structure, magnetic state, and structural phase stability of the recently discovered double-l
Externí odkaz:
http://arxiv.org/abs/2410.15298
Autor:
Gaifutdinov, G. M., Leonov, I. V.
Using the DFT+dynamical mean-field theory method we revisit the pressure-temperature phase diagram of the prototypical correlated insulator NiO. We study the pressure-induced evolution of the electronic structure, magnetic state, and exchange couplin
Externí odkaz:
http://arxiv.org/abs/2408.13937
Autor:
Leonov, I. V.
Publikováno v:
Phys. Rev. B 110, 045126 (2024)
We report a theoretical study of the effects of electronic correlations, magnetic properties, and chemical bonding in the recently synthesized high-pressure orthorhombic phase of FeN$_2$ using the DFT+dynamical mean-field theory approach. Our analysi
Externí odkaz:
http://arxiv.org/abs/2407.16783
Autor:
Leonov, I. V.
Publikováno v:
Phys. Rev. B 109, 235123 (2024)
It has been recently shown that under pressure trilayer Ruddlesden-Popper nickelate La$_4$Ni$_3$O$_{10}$ (LNO) becomes superconducting below a critical temperature $\sim$20 K, in addition to the infinite-layer and bilayer systems. Motivated by this o
Externí odkaz:
http://arxiv.org/abs/2401.07350
Publikováno v:
JETP Letters 118, 886 (2023)
We report a theoretical study of the effects of electron correlations and structural confinement on the electronic properties and magnetic state of LaNiO3 (LNO) thin films epitaxially deposited on the (001) LaAlO3 (LAO) substrate. Using the DFT+U met
Externí odkaz:
http://arxiv.org/abs/2310.07705
Autor:
Shilenko, D. A., Leonov, I. V.
Publikováno v:
Phys Rev B. 108, 125105 (2023)
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the normal state electronic structure, Fermi surface, and magnetic correlations of the recently discovered d
Externí odkaz:
http://arxiv.org/abs/2306.14841
Autor:
Slobodchikov, K. G., Leonov, I. V.
Publikováno v:
Phys. Rev. B 106, 165110 (2022)
Using \emph{ab initio} band structure methods and DFT+dynamical mean-field theory approach we explore the possible formation of spin and charge stripes in the Ni-O plane of hole-doped infinite-layer nickelates, $R$NiO$_2$. Our results reveal a remark
Externí odkaz:
http://arxiv.org/abs/2206.06985
Publikováno v:
Phys. Rev. B 105, 035125 - Published 18 January 2022
We perform a theoretical study of the electronic structure and magnetic properties of the prototypical magnetic MAX-phase Mn$_2$GaC with the main focus given to the origin of magnetic interactions in this system. Using the density functional theory+d
Externí odkaz:
http://arxiv.org/abs/2201.07995
Autor:
Leonov, I.
Publikováno v:
Phys. Rev. B 105, 035157 (2022)
We compute the electronic structure, spin and charge state of Fe ions, and structural phase stability of paramagnetic CaFeO$_3$ under pressure using a fully self-consistent in charge density DFT+dynamical mean-field theory method. We show that at amb
Externí odkaz:
http://arxiv.org/abs/2109.06026
Autor:
Leonov, I., Biermann, S.
Publikováno v:
Phys. Rev. B 103, 165108 (2021)
We explore the interplay of electron-electron correlations and surface effects in the prototypical correlated insulating material, NiO. In particular, we compute the electronic structure, magnetic properties, and surface energies of the $(001)$ and $
Externí odkaz:
http://arxiv.org/abs/2101.12558