Surface reconstruction limited magnetism of the nodal loop semimetal Ca$$_3$$P$$_2

Nodal loop semimetals are topological materials with drumhead surface states characterized by reduced kinetic energy. If the Fermi energy of such a system is near these nondispersive states interaction among charge carriers substantially impacts their electronic structure. The emergence of magnetism...

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Bibliographic Details
Published in:Scientific reports 2024-12, Vol.14 (1), p.1-9, Article 31845
Main Authors: Alassaf, Assem, Koltai, János, García-Fuente, Amador, Oroszlány, László
Format: Article
Language:English
Subjects:
Ab initio
Nodal loop semimetals
Surface magnetism
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Summary:Nodal loop semimetals are topological materials with drumhead surface states characterized by reduced kinetic energy. If the Fermi energy of such a system is near these nondispersive states interaction among charge carriers substantially impacts their electronic structure. The emergence of magnetism in these surface states is one of the possible consequences. Ca $$_3$$ P $$_2$$ an already synthesized material possesses a remarkably large nodal loop which is situated exactly at the Fermi level of the bulk system. In the present work, we investigate how surface magnetism is impacted by surface reconstruction and lattice termination in finite slabs in this material. We show that a slight deviation from the stoichiometric occupation of Ca sites results in the stabilization of magnetic patterns.
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-024-83168-y