Magnetic Order and Strain in Hexagonal Manganese Pnictide CaMn$_2$Bi$_2$

[2410.23053] Magnetic Order and Strain in Hexagonal Manganese Pnictide CaMn$_2$Bi$_2$ Skip to main content Search Submit Donate Log in Search arXiv Press Enter to search · Advanced search Condensed Matter > Materials Science arXiv:2410.23053 (cond-mat) [Submitted on 30 Oct 2024 ( v1 ), last revised 18 Nov 2024 (this version, v2)] Title: Magnetic Order and Strain in Hexagonal Manganese Pnictide CaMn$_2$Bi$_2$ Authors: Rodrigo Humberto Aguilera-del-Toro , Mikel Arruabarrena , Aritz Leonardo , Martin Rodriguez-Vega , Gregory A. Fiete , Andrés Ayuela View a PDF of the paper titled Magnetic Order and Strain in Hexagonal Manganese Pnictide CaMn$_2$Bi$_2$, by Rodrigo Humberto Aguilera-del-Toro and 5 other authors View PDF HTML (experimental) Abstract: The manganese pnictide CaMn$_2$Bi$_2$, with Mn atoms arranged in a puckered honeycomb structure, exhibits narrow-gap antiferromagnetism, and it is currently a promising candidate for the study of complex electronic and magnetic phenomena, such as magnetotransport effects and potential spin spirals under high pressure. In this paper, we perform a detailed research of the magnetic properties of CaMn$_2$Bi$_2$ using density functional theory (DFT) combined with the Hubbard U correction and spin-orbit coupling, which accurately describe the magnetic interactions. Our results obtained for a large number of magnetic configurations are accurately captured by a modified Heisenberg model that includes on-site magnetization terms to describe magnetic energy excitations. We further investigate the role of the spin-orbit coupling, and find that the magnetic anisotropy of CaMn$_2$Bi$_2$ shows an easy plane, with the preferred magnetization direction being exchanged between axes in the plane by applying small strain values. This strain-tunable magnetization, driven by the interplay between spin-orbit interactions and lattice distortions, highlights the potential for controlling magnetic states in Mn-pnictides for future applications in spintronic and magnetoelectric devices. Subjects: Materials Science (cond-mat.mtrl-sci) Cite as: arXiv:2410.23053 [cond-mat.mtrl-sci] (or arXiv:2410.23053v2 [cond-mat.mtrl-sci] for this version) https://doi.org/10.48550/arXiv.2410.23053 Focus to learn more arXiv-issued DOI via DataCite Related DOI : https://doi.org/10.1038/s41598-026-39215-x Focus to learn more DOI(s) linking to related resources Submission history From: Mikel Arruabarrena [ view email ] [v1] Wed, 30 Oct 2024 14:19:31 UTC (3,570 KB) [v2] Mon, 18 Nov 2024 14:10:20 UTC (3,571 KB) Full-text links: Access Paper: View a PDF of the paper titled Magnetic Order and Strain in Hexagonal Manganese Pnictide CaMn$_2$Bi$_2$, by Rodrigo Humberto Aguilera-del-Toro and 5 other authors View PDF HTML (experimental) TeX Source view license Current browse context: cond-mat.mtrl-sci < prev | next > new | recent | 2024-10 Change to browse by: cond-mat References & Citations NASA ADS Google Scholar Semantic Scholar export BibTeX citation Loading... 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