Zobrazeno 1 - 10
of 137
pro vyhledávání: '"A. B. Shick"'
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-6 (2017)
Abstract We address a recent controversy concerning the magnetic state of holmium adatom on platinum surface. Within a combination of the density functional theory (DFT) with the exact diagonalization (ED) of Anderson impurity model, the 〈J z 〉 =
Externí odkaz:
https://doaj.org/article/761e81d58f404b758149600363348d85
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-9 (2024)
Abstract Correlated band theory implemented as a combination of the relativistic density functional theory with exact diagonalization [DFT+U(ED)] of the Anderson impurity term with Coulomb repulsion U in the 5f shell is applied to the magnetic field
Externí odkaz:
https://doaj.org/article/b050a3c037e34eafb31ea2d9ba1056f0
Autor:
T. Klimczuk, A. B. Shick, A. L. Kozub, J.-C. Griveau, E. Colineau, M. Falmbigl, F. Wastin, P. Rogl
Publikováno v:
APL Materials, Vol 3, Iss 4, Pp 041803-041803-9 (2015)
Two new transuranium metal boron carbides, NpBC and PuBC, have been synthesized. Rietveld refinements of powder XRD patterns of {Np,Pu}BC confirmed in both cases isotypism with the structure type of UBC. Temperature dependent magnetic susceptibility
Externí odkaz:
https://doaj.org/article/fb362dc35f2e449ab8b0523b8cf3ad8a
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-9 (2023)
Abstract The electronic structure, spin and orbital magnetic moments, and the magnetic anisotropy energy in selected U-based compounds are investigated making use of the correlated band theory. First, we demonstrate that the LSDA+U approach with exac
Externí odkaz:
https://doaj.org/article/a36860db973342b9b92cc8dad99ba042
Publikováno v:
New Journal of Physics, Vol 23, Iss 10, p 103037 (2021)
We report density functional theory plus exact diagonalization of the multi-orbital Anderson impurity model calculations including the spin–orbit coupling for the Co adatom on the top of Cu _2 N/Cu(001) surface. It is found that experimentally obse
Externí odkaz:
https://doaj.org/article/89cfbbdca3f142e4993f64fd746c200f
Publikováno v:
Physical Review B. 106
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b42991a548f4a6cab7b3ffa6f11d5b20
https://doi.org/10.1103/physrevb.106.245115
https://doi.org/10.1103/physrevb.106.245115
Publikováno v:
Crystals, Vol 10, Iss 6, p 430 (2020)
We theoretically investigate the electronic and magnetic structure of Fe 2 Hf. The density functional theory calculations are shown to produce the negative, easy-plane, magnetic anisotropy in the hexagonal Fe 2 Hf. Antimony substitution suppresses th
Externí odkaz:
https://doaj.org/article/d717b4ebaa9245f58cac25bf7f21c2a1
Autor:
Alexander B. Shick, A. Yu. Denisov
Publikováno v:
Journal of Magnetism and Magnetic Materials. 475:211-215
The electronic structure and magnetism of individual Dy atom adsorbed on the graphene/Ir(1 1 1) surface is investigated using the combination of the density functional theory with the Hubbard-I approximation to the Anderson impurity model (DFT + HIA)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7b68f59177772bfd5a416e7c3f3bf6f1
https://doi.org/10.1016/j.jmmm.2018.11.078
https://doi.org/10.1016/j.jmmm.2018.11.078
Publikováno v:
Physical Review B. 103
Correlated band theory implemented as a combination of density functional theory with exact diagonalization [$\mathrm{DFT}+U$(ED)] of the Anderson impurity term with Coulomb repulsion $U$ in the open 14-orbital $5f$ shell is applied to ${\mathrm{UTe}
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::31ce5959917be69ce5c2b85f7359b4cc
https://doi.org/10.1103/physrevb.103.125136
https://doi.org/10.1103/physrevb.103.125136
Publikováno v:
Journal of Physics: Conference Series. 2164:012045
We investigate the electronic structure of a cobalt atom in a copper host using the density functional theory and the exact diagonalization of an Anderson impurity model. The spectral functions and spin moments at the impurity are calculated and are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d774f8c7a73a0b72ef985fd6cf4f244e
https://doi.org/10.1088/1742-6596/2164/1/012045
https://doi.org/10.1088/1742-6596/2164/1/012045