Magnetic Order and Strain in Hexagonal Manganese Pnictide CaMn$_2$Bi$_2$
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2024
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| author | Aguilera-del-Toro, Rodrigo Humberto Arruabarrena, Mikel Leonardo, Aritz Rodriguez-Vega, Martin Fiete, Gregory A. Ayuela, Andrés |
| author_facet | Aguilera-del-Toro, Rodrigo Humberto Arruabarrena, Mikel Leonardo, Aritz Rodriguez-Vega, Martin Fiete, Gregory A. Ayuela, Andrés |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_23053 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Magnetic Order and Strain in Hexagonal Manganese Pnictide CaMn$_2$Bi$_2$ Aguilera-del-Toro, Rodrigo Humberto Arruabarrena, Mikel Leonardo, Aritz Rodriguez-Vega, Martin Fiete, Gregory A. Ayuela, Andrés Materials Science 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. |
| title | Magnetic Order and Strain in Hexagonal Manganese Pnictide CaMn$_2$Bi$_2$ |
| topic | Materials Science |
| url | https://arxiv.org/abs/2410.23053 |