Large anomalous Hall conductivity in Weyl ferrimagnet <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Cs</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Co</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mm
The identification of topological Weyl semimetals has recently gained considerable attention. Here, we report the results of density-functional theory calculations regarding the magnetic properties, the electronic structure, and the intrinsic anomalous Hall conductivity of the title compound, which was synthesized already 50 years ago but received little attention until now. We found <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:mrow><a:msub><a:mi>Cs</a:mi><a:mn>2</a:mn></a:msub><a:msub><a:mi>Co</a:mi><a:mn>3</a:mn></a:msub><a:msub><a:mi mathvariant="normal">S</a:mi><a:mn>4</a:mn></a:msub></a:mrow></a:math> to be a ferrimagnetic half-metal with a total spin magnetic moment of about <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"><c:mrow><c:mn>3</c:mn><c:mspace width="0.16em"/><c:msub><c:mi>μ</c:mi><c:mi>B</c:mi></c:msub></c:mrow></c:math> per formula unit. It shows an energy band gap of 0.36 eV in the majority-spin channel and a pseudogap at the Fermi level in the minority-spin channel. We identified several sets of low-energy Weyl points and traced their dependence on the direction of magnetization. The intrinsic anomalous Hall conductivity is predicted to reach a magnitude of up to 500 <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"><e:mrow><e:msup><e:mi mathvariant="normal">Ω</e:mi><e:mrow><e:mo>−</e:mo><e:mn>1</e:mn></e:mrow></e:msup><e:mspace width="0.16em"/><e:msup><e:mrow><e:mi>cm</e:mi></e:mrow><e:mrow><e:mo>−</e:mo><e:mn>1</e:mn></e:mrow></e:msup></e:mrow></e:math>, which is comparable to values obtained in other celebrated Weyl semimetals.
Authors
- Klaus Koepernik (ORCID: https://orcid.org/0000-0002-4483-0423)
- Gang Bahadur Acharya (ORCID: https://orcid.org/0000-0001-8915-7247)
- Manuel Richter (ORCID: https://orcid.org/0000-0002-9999-8290)
- Madhav Prasad Ghimire (ORCID: https://orcid.org/0000-0003-2783-4008)
Institutions
- Tribhuvan University (NP)
- Leibniz Institute for Solid State and Materials Research (DE)
- Technische Universität Dresden (DE)
Publication Details
- Journal
- Physical Review Materials
- Published
- 2025-06-02
- DOI
- https://doi.org/10.1103/physrevmaterials.9.064201
- Citations
- 2
- Primary Topic
- Topological Materials and Phenomena
- Type
- article
- Field-Weighted Citation Impact
- 2.49
Funders
- Styrelsen för Internationellt Utvecklingssamarbete
- Alexander von Humboldt-Stiftung
- United Nations Educational, Scientific and Cultural Organization
- Tribhuvan University
- University Grants Commission
- Nepal Academy of Science and Technology
- University Grants Commission- Nepal