Layered ternary iron-selenides under pressure as candidates for coexisting altermagnetism and superconductivity
Zilong Li, Xin Ma, Siqi Wu, H.-Q. Yuan, Jianhui Dai, Chao Cao
DOI 10.1103/tst1-924w · Physical Review B
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Abstract
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 the Néel-altermagnetism (AM) phase is observed under high pressure when the iron-vacancy order is preserved. Thus, ternary iron-selenides under pressure may be a rare example for coexisting altermagnetism and superconductivity. In particular, an equal-spin triplet pairing would be naturally favored, if the reentrant superconducting phase of KyFe2−xSe2 under high pressure emerges from the Néel-AM normal state. In addition, the Néel-AM phase is an 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.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| KyFe2-xSe2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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