Proposal for a bulk material based on a monolayer FeSe on SrTiO3 high-temperature superconductor
Sinisa Coh, Dung-Hai Lee, Steven G. Louie, Marvin L. Cohen
DOI 10.1103/PhysRevB.93.245138 · Physical Review B
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Abstract
Motivated by the high superconducting transition temperature of monolayer FeSe on SrTiO3, we propose a potential three-dimensional high-temperature superconductor superlattice FeSe-SrTiO3 and study its structural stability and electronic structure using density functional theory. We find that the binding energy between the FeSe and SrTiO3 layers is about ∼0.7 eV per (Fe2Se2) unit and that it saturates already within a single TiO2 atomic layer of SrTiO3. In addition we analyzed the dynamical stability of the superlattice and compared it to the case of bulk SrTiO3.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| FeSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 55 | Pressure not reported | onset |
| FeSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 8 | Pressure unresolved | unknown |
| FeSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 37 | Pressure not reported | unknown |
| Li1-xFexOHFeSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 41 | Pressure not reported | unknown |
| Kx(FeSe)3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 48 | Pressure not reported | onset |
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