Orbital Selective Fermi Surface Shifts and Mechanism of High Tc Superconductivity in Correlated AFeAs (A=Li, Na)
Geunsik Lee, Hyo Seok Ji, Yeongkwan Kim, Changyoung Kim, Kristjan Haule, Gabriel Kotliar, Bumsung Lee, Seunghyun Khim, Kee Hoon Kim, Kwang S. Kim, Ki-Seok Kim, Ji Hoon Shim
DOI 10.1103/PhysRevLett.109.177001 · Physical Review Letters
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Abstract
Based on the dynamical mean field theory and angle resolved photoemission spectroscopy, we have investigated the mechanism of high Tc superconductivity in stoichiometric LiFeAs. The calculated spectrum is in excellent agreement with the measured angle resolved photoemission spectroscopy. The Fermi surface (FS) nesting, which is predicted in the conventional density functional theory method, is suppressed due to the orbital-dependent correlation effect within the dynamical mean field theory method. We have shown that such marginal breakdown of the FS nesting is an essential condition to the spin-fluctuation mediated superconductivity, while the good FS nesting in NaFeAs induces a spin density wave ground state. Our results indicate that a fully charge self-consistent description of the correlation effect is crucial in the description of the FS nesting-driven instabilities.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| LiFeAs Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| NaFeAs 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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