Dominant role of local-moment interactions in the magnetic ordering of iron pnictide superconductors: A comparative study of arsenides and antimonides from first principles
Chang-Youn Moon, Se Young Park, Hyoung Joon Choi
DOI 10.1103/PhysRevB.80.054522 · Physical Review B
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Abstract
The magnetic properties of various iron pnictides are investigated using first-principles pseudopotential calculations. We consider three different families, LaFePnO, BaFe2Pn2, and LiFePn with Pn=As and Sb, and find that the Fe local spin moment and the stability of the stripe-type antiferromagnetic phase increases from As to Sb for all of the three families, with a partial gap formed at the Fermi energy. In the meanwhile, the Fermi-surface nesting is found to be enhanced from Pn=As to Sb for LaFePnO but not for BaFe2Pn2 and LiFePn. These results indicate that the local-moment interaction is the dominant factor over the Fermi-surface nesting in determining the stability of the magnetic phase in these materials and that the partial gap is an induced feature by a specific magnetic order.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| SmFeAsO Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 55 | Pressure not reported | unknown |
| BaFe2As2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 38 | Pressure not reported | unknown |
| SrFe2As2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 38 | Pressure not reported | unknown |
| LiFeAs Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 16 | Pressure not reported | unknown |
| LiFeAs Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 18 | Pressure not reported | unknown |
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