Zero-temperature transition between antiferromagnetic and ferromagnetic states driven by varying chemical composition in hydrogenated U2(Ni1-xFex)2Sn
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F22%3A00566509" target="_blank" >RIV/68378271:_____/22:00566509 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11320/22:10444758
Result on the web
<a href="https://doi.org/10.1103/PhysRevB.105.134411" target="_blank" >https://doi.org/10.1103/PhysRevB.105.134411</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.105.134411" target="_blank" >10.1103/PhysRevB.105.134411</a>
Alternative languages
Result language
angličtina
Original language name
Zero-temperature transition between antiferromagnetic and ferromagnetic states driven by varying chemical composition in hydrogenated U2(Ni1-xFex)2Sn
Original language description
This paper suggests an explanation why the material that is intermediate between antiferromagnet U2Ni2Sn and Pauli paramagnet U2Fe2Sn turns in the hydrogenated form to the ferromagnetic state. Our theoretical study is based on density functional theory (DFT) and DFT+U calculations. We show that U2Ni2Sn has well-defined U atomic moments and can be mapped on the Heisenberg-type Hamiltonian. In U2Fe2Sn, strong 5f−3d hybridization leads to both the Pauli paramagnetism for the equilibrium lattice and the simultaneous appearance of comparable in value U and Fe spin moments for larger lattice parameters. The presence of the Fe moments is shown to be essential for the magnetism of U2Fe2Sn, which imposes strong constraint on the magnetic structure of the U sublattice requesting it to be ferromagnetic.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/GA21-09766S" target="_blank" >GA21-09766S: Magnetism and electronic structure of actinides tuned by ionicity</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B
ISSN
2469-9950
e-ISSN
2469-9969
Volume of the periodical
105
Issue of the periodical within the volume
13
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
134411
UT code for WoS article
000800751900004
EID of the result in the Scopus database
2-s2.0-85129023120