2011
DOI: 10.1103/physrevb.84.054542
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Small anisotropy in iron-based superconductors induced by electron correlation

Abstract: We have investigated the electron correlation effect on the electronic structures and transport properties of the iron-based superconductors using density functional theory (DFT) and dynamical mean field theory (DMFT). By considering the Fe 3d electron correlation using DMFT, the quasiparticle bandwidth near the Fermi level is found to be substantially suppressed compared to the conventional DFT calculation. Because of the different renormalization factors of each 3d orbital, DMFT gives considerably reduced el… Show more

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Cited by 8 publications
(7 citation statements)
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References 44 publications
(54 reference statements)
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“…Calculated bands have to be renormalized by approximately 2−4 to fit the experimentally measured band width, and the predicted spin magnetic moment is about twice larger than the experimental value. On the other hand, the dynamical mean field theory (DMFT) on top of the DFT showed consistent results with the measured bands, the anisotropy and the small magnetic moment [16][17][18][19][20][21].…”
mentioning
confidence: 58%
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“…Calculated bands have to be renormalized by approximately 2−4 to fit the experimentally measured band width, and the predicted spin magnetic moment is about twice larger than the experimental value. On the other hand, the dynamical mean field theory (DMFT) on top of the DFT showed consistent results with the measured bands, the anisotropy and the small magnetic moment [16][17][18][19][20][21].…”
mentioning
confidence: 58%
“…On the other hand, the dynamical mean field theory (DMFT) on top of the DFT showed consistent results with the measured bands, the anisotropy and the small magnetic moment. [11][12][13][14][15][16] Even though DMFT has been shown to work well, the comparison of calculated and measured band structures, especially the FS, is still important to check the validity of the calculation. For an accurate comparison of theory and experiment, LiFeAs is the most suitable system at present.…”
mentioning
confidence: 99%
“…5(b). The large ρ c /ρ ab makes Ca 10 Pt 4 As 8 ((Fe 1-x Pt x ) 2 As 2 ) 5 one of the most anisotropic materials in the class of Fe-based superconductors [30][31]. The large anisotropy is most likely a result of directional disorder as discussed in Ref.…”
Section: The Chemical Composition Of Resultant Crystals Was Determinementioning
confidence: 94%
“…The resistivity anisotropy γ is calculated by γ=ρc/ρab and it increases from ~4.1 at 300 K to ~7.9 around T c as displayed in Figure 5. The γ of Ca 10 Pt 4 As 8 (Fe 2 As 2 ) 5 is larger than that of LaFeAsO 0.9 F 0.1 [17]. Relatively large anisotropy and a conspicuous difference in the behavior of ρ c and ρ ab suggests rgw strong 2D nature of electronic structures in Ca 10 Pt 4 As 8 (Fe 2 As 2 ) 5 , which is rarely encountered in traditional Fe-based superconductors.…”
Section: Resultsmentioning
confidence: 99%