Magnetism driven by anion vacancies in superconducting α-FeSe1−x
K.-W. Lee, V. Pardo, W. E. Pickett
DOI 10.1103/PhysRevB.78.174502 · Physical Review B
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Abstract
To study the microscopic electronic and magnetic interactions in the substoichiometric iron chalcogenide FeSe1−x which is observed to superconduct at x≈18 up to Tc=27 K, we use first principles methods to study the Se vacancy in this nearly magnetic FeSe system. The vacancy forms a ferrimagnetic cluster of eight Fe atoms, which for the ordered x=18 alloy leads to half-metallic conduction. Similar magnetic clusters are obtained for FeTe1−x and for BaFe2As2 with an As vacancy although neither of these are half-metallic. Based on fixed spin-density results, we suggest the low-energy excitations in FeSe1−x are antiparamagnonlike with short correlation length.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| FeSe1-x Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 27 | 1.48 GPa | unknown |
| FeSe1-x Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 8 | Pressure unresolved | unknown |
| FeSe1-x Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 14 | Pressure unresolved | unknown |
| Fe(Se1-yTey)0.82 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 14 | Pressure not reported | unknown |
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