Zobrazeno 1 - 10
of 68
pro vyhledávání: '"Urszula D. Wdowik"'
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:
Cinthia Antunes Corrêa, Morgane Poupon, Václav Petříček, Róbert Tarasenko, Matúš Mihálik, Dominik Legut, Urszula D. Wdowik, Alžbeta Orendáčová
Publikováno v:
The Journal of Physical Chemistry C. 126:14573-14580
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::983a80be8a3a4d034274001779531037
https://doi.org/10.1021/acs.jpcc.2c04261
https://doi.org/10.1021/acs.jpcc.2c04261
Publikováno v:
Advances in Condensed Matter Physics, Vol 2017 (2017)
Vibrational dynamics of binary titanium borides is studied from first-principles. Polarized and unpolarized Raman spectra of TiB, TiB2, and Ti3B4 are reported along with the experimental spectra of commercial powder and bulk TiB2 containing less than
Externí odkaz:
https://doaj.org/article/f47694d9541d4233b474dc03cd04237e
Autor:
K. Komędera, Jan Żukrowski, T. J. Sato, A. Błachowski, Dominik Legut, Urszula D. Wdowik, J. Gatlik
Publikováno v:
Physical Review B. 103
The $\mathrm{Ba}{\mathrm{Fe}}_{2}{({\mathrm{As}}_{1\ensuremath{-}x}{\mathrm{P}}_{x})}_{2}$ compounds with $x=0$ (parent), $x=0.10$ (underdoped), $x=0.31$, 0.33, 0.53 (superconductors with ${T}_{c}=27.3$, 27.6, 13.9 K, respectively), and $x=0.70$, 0.7
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a8dcaeedb130e4c24791edb0f7dd5f48
https://doi.org/10.1103/physrevb.103.024526
https://doi.org/10.1103/physrevb.103.024526
Publikováno v:
Physical Review B. 101
Density functional theory investigations of effects arising from ordered structure of cation vacancies in ${\mathrm{KNi}}_{2}{\mathrm{Se}}_{2}$ are reported. The simulated cation-deficient ${\mathrm{K}}_{x}{\mathrm{Ni}}_{2\ensuremath{-}y}{\mathrm{Se}
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cd3a6813899002bfb129afeb7f0a3fdc
https://doi.org/10.1103/physrevb.101.045125
https://doi.org/10.1103/physrevb.101.045125
Publikováno v:
Physics Letters A. 382:1937-1941
Results of inelastic neutron scattering experiments on SnSe single crystals at high temperatures along with theoretical studies based on the density functional theory are reported. Our experiments reveal significant softening of the transverse acoust
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::77d8397e151fc0c6f85640e2c93e79c2
https://doi.org/10.1016/j.physleta.2018.05.011
https://doi.org/10.1016/j.physleta.2018.05.011
Autor:
Urszula D. Wdowik, Małgorzata Sternik
Publikováno v:
Physical Chemistry Chemical Physics. 20:7754-7763
Dynamical properties of the two-dimensional Ti2C and Ti2N MXenes were investigated using density functional theory and discussed in connection with their structures and electronic properties. To elucidate the influence of magnetic interactions on the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf27b3ec2ce08d8008fa5e3300f0fa12
https://doi.org/10.1039/c7cp08270c
https://doi.org/10.1039/c7cp08270c
Publikováno v:
Journal of Nanoscience and Nanotechnology. 19:3016-3018
The density functional theory was used to calculate elastic tensor for the quasi-one-dimensional antiferromagnetic compound Cu(en)(H₂O)₂SO₄, with en = C₂H8N₂. The bulk, shear, Young moduli, Poisson ratio, and elastic anisotropy were determi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b409552cca4b2fc14677bc9b9be24f8a
https://doi.org/10.1166/jnn.2019.15858
https://doi.org/10.1166/jnn.2019.15858
Publikováno v:
Journal of Mining and Metallurgy. Section B: Metallurgy, Vol 53, Iss 3, Pp 239-247 (2017)
Phase transformation from orthorhombic HfV2 structure to cubic C15 Laves phase structure, which occurs during heating at about 114 K, is well known. In this contribution, a thermodynamic description of this phenomenon is provided supported by ab init
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f86f769b40d92fdd56694a7c6d60e0d9
http://www.doiserbia.nb.rs/img/doi/1450-5339/2017/1450-53391700032V.pdf
http://www.doiserbia.nb.rs/img/doi/1450-5339/2017/1450-53391700032V.pdf
Publikováno v:
Advances in Condensed Matter Physics, Vol 2017 (2017)
Vibrational dynamics of binary titanium borides is studied from first-principles. Polarized and unpolarized Raman spectra of TiB, TiB2, and Ti3B4 are reported along with the experimental spectra of commercial powder and bulk TiB2 containing less than
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc2fb90bafecdadc6dc0f7699659cdc4
https://doi.org/10.1155/2017/4207301
https://doi.org/10.1155/2017/4207301