Maximizing the Fermi-surface multiplicity optimizes the superconducting state of iron pnictide compounds
Hidetomo Usui, Kazuhiko Kuroki
DOI 10.1103/PhysRevB.84.024505 · Physical Review B
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Abstract
We study the condition for optimizing superconductivity in the iron pnictides from the lattice structure point of view. Studying the band structure of the hypothetical lattice structure of LaFeAsO, the hole Fermi-surface multiplicity is found to be maximized around the Fe-As-Fe bond angle regime where the arsenic atoms form a regular tetrahedron. Superconductivity is optimized within this three hole Fermi-surface regime, thereby providing a natural explanation as to why Tc is optimized around the regular tetrahedron angle. On the other hand, the stoner factor of the antiferromagnetism has an overall tendency of increasing upon decreasing the bond angle, so the strength of the spin fluctuation and Tc is not necessarily correlated. Combining also the effect of the varying the Fe-As bond length, we provide a guiding principle for obtaining high Tc.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Ca4Al2O6Fe2As2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 28.3 | Pressure not reported | unknown |
| Ca4Al2O6Fe2P2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 17.1 | Pressure not reported | unknown |
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