Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F17%3A10363141" target="_blank" >RIV/00216208:11320/17:10363141 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/acs.chemmater.6b04782" target="_blank" >http://dx.doi.org/10.1021/acs.chemmater.6b04782</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.chemmater.6b04782" target="_blank" >10.1021/acs.chemmater.6b04782</a>
Alternative languages
Result language
angličtina
Original language name
Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials
Original language description
The most favorable structures and the types of magnetic ordering predicted from first-principles-based methods in a family of closely related transition-metal-rich indides EuT5In (T = Cu, Ag, Au) are gauged against relevant experiments. The EuT5In compounds adopt a different structure for each different coinage metal-EuCu5In (hR42; R (3) over barm, a = 5.0933(7), c = 30.557(6) angstrom), EuAg5In (oP28; Pnma, a = 9.121(2), b = 5.645(1), c = 11.437(3) angstrom), and EuAu5In (tI14; I4/mmm, a = 7.1740(3), c = 5.4425(3) angstrom)-and crystallize with the Sr5Al9, CeCu6, and YbMo2Al4 structure types, respectively. EuCu5In and EuAg5In order antiferromagnetically at T-N = 12 and 6 K, respectively, whereas EuAu5In is ferromagnetic below T-C = 13 K. EuCu5In exhibits complex magnetism: after the initial drop at TN, the magnetization rises again below 8 K, and a weak metamagnetic-like transition occurs at 2 K in mu H-0 = 1.8 T. The electronic heat capacity of EuCu5In, gamma = similar to 400 mJ/(mol K-2), points to strong electronic correlations. Spin-polarized densities of states suggest that the magnetic interactions in the three materials studied are supported via mixing 4f and 5d states of Eu. A chemical bonding analysis based on the Crystal Orbital Hamilton populations reveals the tendency to maximize overall bonding as a driving force to adopt a particular type of crystal structure.
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/GAP204%2F12%2F0285" target="_blank" >GAP204/12/0285: f-Metal Hydrides: Synthesis and Properties of Bulk and Thin Films</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemistry of Materials
ISSN
0897-4756
e-ISSN
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Volume of the periodical
29
Issue of the periodical within the volume
6
Country of publishing house
US - UNITED STATES
Number of pages
16
Pages from-to
2599-2614
UT code for WoS article
000398014600025
EID of the result in the Scopus database
2-s2.0-85016391879