Pressure Induced Altermagnetism in Layered Ternary Iron-Selenides
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arXiv
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| Autores principales: | , , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866916836252057600 |
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| author | Li, Zilong Ma, Xin Wu, Siqi Yuan, H. -Q. Dai, Jianhui Cao, Chao |
| author_facet | Li, Zilong Ma, Xin Wu, Siqi Yuan, H. -Q. Dai, Jianhui Cao, Chao |
| contents | Employing first-principles based calculations, we reexamined the high-pressure phases of the vacancy-ordered iron-selenides, i.e. A2Fe4Se5 phase. A magnetic transition from the block-spin antiferromagnetic phase to Neel-AM phase is observed under high pressure when the iron-vacancy order is preserved. The transition is first-order, driven by the collapse of c-axis and accompanied by an insulator-metal transition. In addition, the Neel-AM phase is a rare example of intrinsic altermagnetism that does not require ligand atoms nor supercell construction to break the spatial inversion or translational symmetry between the two spin sublattices, with a spin-splitting of the band structure as large as 300 meV. If the re-entrant superconducting phase of KyFe2-xSe2 under high pressure emerges from the Neel-AM normal state, an equal-spin triplet pairing would be naturally favored. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2503_11228 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Pressure Induced Altermagnetism in Layered Ternary Iron-Selenides Li, Zilong Ma, Xin Wu, Siqi Yuan, H. -Q. Dai, Jianhui Cao, Chao Materials Science Strongly Correlated Electrons Superconductivity Employing first-principles based calculations, we reexamined the high-pressure phases of the vacancy-ordered iron-selenides, i.e. A2Fe4Se5 phase. A magnetic transition from the block-spin antiferromagnetic phase to Neel-AM phase is observed under high pressure when the iron-vacancy order is preserved. The transition is first-order, driven by the collapse of c-axis and accompanied by an insulator-metal transition. In addition, the Neel-AM phase is a rare example of intrinsic altermagnetism that does not require ligand atoms nor supercell construction to break the spatial inversion or translational symmetry between the two spin sublattices, with a spin-splitting of the band structure as large as 300 meV. If the re-entrant superconducting phase of KyFe2-xSe2 under high pressure emerges from the Neel-AM normal state, an equal-spin triplet pairing would be naturally favored. |
| title | Pressure Induced Altermagnetism in Layered Ternary Iron-Selenides |
| topic | Materials Science Strongly Correlated Electrons Superconductivity |
| url | https://arxiv.org/abs/2503.11228 |