Dominik Legut
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Explore the profile of Dominik Legut including associated specialties, affiliations and a list of published articles.
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31
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103
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Recent Articles
1.
Shick A, Wdowik U, Halevy I, Legut D
Sci Rep
. 2024 Oct;
14(1):25337.
PMID: 39455638
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...
2.
Luo K, Liu Z, Yu R, Xu T, Legut D, Yin X, et al.
Phys Chem Chem Phys
. 2024 Aug;
26(35):23010-23022.
PMID: 39171693
Zn-Cu alloys have attracted great attention as biodegradable alloys owing to their excellent mechanical properties and biocompatibility, with corrosion characteristics being crucial for their suitability for biomedical applications. However, the...
3.
Thielemann-Kuhn N, Amrhein T, Bronsch W, Jana S, Pontius N, Engel R, et al.
Sci Adv
. 2024 Apr;
10(16):eadk9522.
PMID: 38630818
A change of orbital state alters the coupling between ions and their surroundings drastically. Orbital excitations are hence key to understand and control interaction of ions. Rare-earth elements with strong...
4.
Liu X, Legut D, Zhang Q
J Phys Chem Lett
. 2023 Aug;
14(34):7744-7750.
PMID: 37607348
In two-dimensional magnets, the ultrafast photoexcited method represents a low-power and high-speed method of switching magnetic states. Bilayer CrI (BLC) is an ideal platform for studying ultrafast photoinduced magnetic phase...
5.
Havela L, Legut D, Kolorenc J
Rep Prog Phys
. 2023 Feb;
86(5).
PMID: 36821855
Hydrides of actinides, their magnetic, electronic, transport, and thermodynamic properties are discussed within a general framework of H impact on bonding, characterized by volume expansion, affecting mainly the 5states, and...
6.
Shick A, Halevy I, Tchaplianka M, Legut D
Sci Rep
. 2023 Feb;
13(1):2646.
PMID: 36788267
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...
7.
Dolezal P, Cejpek P, Tsutsui S, Kaneko K, Legut D, Carva K, et al.
Sci Rep
. 2021 Oct;
11(1):20878.
PMID: 34686771
The interaction between phonons and 4f electrons, which is forming a new quantum state (quasi-bound state) beyond Born-Oppenheimer approximation, is very prominent and lattice dynamics plays here a key role....
8.
Dong X, Wei B, Legut D, Zhang H, Zhang R
Phys Chem Chem Phys
. 2021 Sep;
23(35):19602-19610.
PMID: 34524301
Mg-Zn alloys have attracted much attention as biodegradable alloys owing to their superior mechanical properties and excellent biocompatibility. However, their corrosion/degradation behaviour has become a major issue for various biomedical...
9.
Wei B, Fu Z, Legut D, Germann T, Du S, Zhang H, et al.
Adv Mater
. 2021 Aug;
33(40):e2102595.
PMID: 34342921
Designing highly active and bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalysts has attracted great interest toward metal-air batteries. Herein, an efficient solution to the search for...
10.
Nieves P, Arapan S, Kadzielawa A, Legut D
Sensors (Basel)
. 2020 Nov;
20(22).
PMID: 33187158
The design of new materials for technological applications is increasingly being assisted by online computational tools that facilitate the study of their properties. In this work, based on modern web...