Iron nitrides substituted with transition metals: DFT study of promising systems for anomalous Nernst effect

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F23%3A00574285" target="_blank" >RIV/68378271:_____/23:00574285 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1103/PhysRevB.108.075123" target="_blank" >https://doi.org/10.1103/PhysRevB.108.075123</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.108.075123" target="_blank" >10.1103/PhysRevB.108.075123</a>

Result language
angličtina
Original language name
Iron nitrides substituted with transition metals: DFT study of promising systems for anomalous Nernst effect
Original language description
The anomalous Nernst effect is studied by ab initio calculations in substituted iron nitrides with antiperovskite structure Fe3M1N and Fe2M1M2N(M1= 4d or 5d, and M2= 3d transition metals), considering the intrinsic Berry curvature-related mechanism depending only on the band structure. The highest absolute anomalous Nernst conductivity (ANC) 8 A K-1m-1 with a negative sign is calculated for ruthenium substituted ferromagnetic phase Fe3RuN. A similar maximum ANC is determined for ferrimagnetic phase Fe2RuCrN, yet the advantage of this doubly substituted phase is that the high ANC values persist over a wider temperature range.
Czech name
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Czech description
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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.)

Project
<a href="/en/project/GF22-10035K" target="_blank" >GF22-10035K: Magnetism and thermomagnetic phenomena in iron nitrides</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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