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Enhanced anomalous Nernst effects in ferromagnetic materials driven by Weyl nodes

Samathrakis, Ilias ; Long, Teng ; Zhang, Zeying ; Singh, Harish K. ; Zhang, Hongbin (2022)
Enhanced anomalous Nernst effects in ferromagnetic materials driven by Weyl nodes.
In: Journal of Physics D: Applied Physics, 55 (7)
doi: 10.1088/1361-6463/ac3351
Artikel, Bibliographie

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Kurzbeschreibung (Abstract)

Based on high-throughput (HTP) first-principles calculations, we evaluated the anomalous Hall and anomalous Nernst conductivities of 266 transition-metal-based ferromagnetic compounds. Detailed analysis based on the symmetries and Berry curvatures reveals that the origin of singular-like behavior of anomalous Hall/Nernst conductivities can be mostly attributed to the appearance of Weyl nodes or nodal lines located in the proximity of the Fermi energy, which can be further tailored by external stimuli such as biaxial strains and magnetic fields. Moreover, such calculations are enabled by the automated construction of Wannier functions with a success rate of 92%, which paves the way to perform accurate HTP evaluation of the physical properties such as the transport properties using the Wannier interpolation.

Typ des Eintrags: Artikel
Erschienen: 2022
Autor(en): Samathrakis, Ilias ; Long, Teng ; Zhang, Zeying ; Singh, Harish K. ; Zhang, Hongbin
Art des Eintrags: Bibliographie
Titel: Enhanced anomalous Nernst effects in ferromagnetic materials driven by Weyl nodes
Sprache: Englisch
Publikationsjahr: 2022
Verlag: IOP Publishing
Titel der Zeitschrift, Zeitung oder Schriftenreihe: Journal of Physics D: Applied Physics
Jahrgang/Volume einer Zeitschrift: 55
(Heft-)Nummer: 7
DOI: 10.1088/1361-6463/ac3351
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Kurzbeschreibung (Abstract):

Based on high-throughput (HTP) first-principles calculations, we evaluated the anomalous Hall and anomalous Nernst conductivities of 266 transition-metal-based ferromagnetic compounds. Detailed analysis based on the symmetries and Berry curvatures reveals that the origin of singular-like behavior of anomalous Hall/Nernst conductivities can be mostly attributed to the appearance of Weyl nodes or nodal lines located in the proximity of the Fermi energy, which can be further tailored by external stimuli such as biaxial strains and magnetic fields. Moreover, such calculations are enabled by the automated construction of Wannier functions with a success rate of 92%, which paves the way to perform accurate HTP evaluation of the physical properties such as the transport properties using the Wannier interpolation.

Freie Schlagworte: DFT+DMFT Investigation of Strongly Correlated Topological Matters
Zusätzliche Informationen:

Artikel-ID 074003. Acknowledgements: This work was financially supported by the Deutsche Forschungsgemeinschaft (DFG) via the priority programme SPP 1666 and the calculations were conducted on the Lichtenberg high performance computer of the TU Darmstadt. Z Z acknowledges the support by the NSF of China (Grant No. 12004028).

Fachbereich(e)/-gebiet(e): 11 Fachbereich Material- und Geowissenschaften
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft
11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Theorie magnetischer Materialien
Hinterlegungsdatum: 20 Jan 2022 06:52
Letzte Änderung: 10 Jan 2024 09:09
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