Physical properties and first-principles calculations of an altermagnet candidate Cs$_{1-δ}$V$_2$Te$_2$O
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arXiv
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| Autores principales: | , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866912796525985792 |
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| author | Liu, Chang-Chao Li, Jing Liu, Ji-Yong Lu, Jia-Yi Li, Hua-Xun Liu, Yi Cao, Guang-Han |
| author_facet | Liu, Chang-Chao Li, Jing Liu, Ji-Yong Lu, Jia-Yi Li, Hua-Xun Liu, Yi Cao, Guang-Han |
| contents | We report the crystal growth, structure, physical properties, and first-principles calculations of a vanadium-based oxytelluride Cs$_{1-δ}$V$_2$Te$_2$O. The material possesses two-dimensional V$_2$O square nets sandwiched by tellurium layers, with local crystallographic symmetry satisfying the spin symmetry for a $d$-wave altermagnet. An antiferromagnetic transition at 293 K is unambiguously evidenced from the measurements of magnetic susceptibility and specific heat. In addition, a secondary transition at $\sim$70 K is also observed, possibly associated with a Lifshitz transition. The first-principles calculations indicate robust Néel-type collinear antiferromagnetism in the V$_2$O plane. Consequently, spin splittings show up in momentum space, in relation with the real-space mirror/rotation symmetry. Interestingly, the V-$d_{yz}/d_{xz}$ electrons, which primarily contribute the quasi-one-dimensional Fermi surface, turns out to be fully orbital- and spin-polarized, akin to the case of a half metal. Our work lays a solid foundation on the potential applications utilizing altermagnetic properties in vanadium-based oxychalcogenides. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_06865 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Physical properties and first-principles calculations of an altermagnet candidate Cs$_{1-δ}$V$_2$Te$_2$O Liu, Chang-Chao Li, Jing Liu, Ji-Yong Lu, Jia-Yi Li, Hua-Xun Liu, Yi Cao, Guang-Han Materials Science Strongly Correlated Electrons We report the crystal growth, structure, physical properties, and first-principles calculations of a vanadium-based oxytelluride Cs$_{1-δ}$V$_2$Te$_2$O. The material possesses two-dimensional V$_2$O square nets sandwiched by tellurium layers, with local crystallographic symmetry satisfying the spin symmetry for a $d$-wave altermagnet. An antiferromagnetic transition at 293 K is unambiguously evidenced from the measurements of magnetic susceptibility and specific heat. In addition, a secondary transition at $\sim$70 K is also observed, possibly associated with a Lifshitz transition. The first-principles calculations indicate robust Néel-type collinear antiferromagnetism in the V$_2$O plane. Consequently, spin splittings show up in momentum space, in relation with the real-space mirror/rotation symmetry. Interestingly, the V-$d_{yz}/d_{xz}$ electrons, which primarily contribute the quasi-one-dimensional Fermi surface, turns out to be fully orbital- and spin-polarized, akin to the case of a half metal. Our work lays a solid foundation on the potential applications utilizing altermagnetic properties in vanadium-based oxychalcogenides. |
| title | Physical properties and first-principles calculations of an altermagnet candidate Cs$_{1-δ}$V$_2$Te$_2$O |
| topic | Materials Science Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2511.06865 |