The Unprecedented Giant Coupling of Fe-spin State and the As-As Hybridization in Iron-Pnictide

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dc.creatorYildirim, T.
dc.date2008-07-24
dc.date2009-02-19
dc.date.accessioned2026-07-07T12:43:12Z
dc.date.available2026-07-07T12:43:12Z
dc.descriptionFrom first principles calculations we unravel surprisingly strong interactions between arsenic ions in iron-pnictides, the strength of which is controlled by the Fe-spin state. Reducing the Fe-magnetic moment, weakens the Fe-As bonding, and in turn, increases As-As interactions, causing giant reduction in the c-axis. For CaFe$_2$As$_2$ system, this reduction is as large as 1.4 Å. Since the large c-reduction has been recently observed only under high-pressure\cite{cTphase}, our results suggest that the iron magnetic moment should be present in Fe-pnictides at all times at ambient pressure. Finally, the conventional electron-phonon coupling in the collapsed phase of CaFe$_2$As$_2$ gives a maximum $T_c$ of 0.6 K and can not explain the $\sim12$ K superconductivity observed in some experiments. Implications of these findings on the mechanism of superconductivity in iron-pnictides are discussed.
dc.descriptionPublished version with updated references. It has new results such as conventional e-ph coupling in the collapsed phase of CaFe2As2 gives a maximum Tc of 0.6 K and cannot explain the ~12 K superconductivity observed in some experiments. Implications of these findings on the mechanism of superconductivity in iron pnictides are discussed
dc.identifierhttps://arxiv.org/abs/0807.3936
dc.identifierhttp://arxiv.org/abs/0807.3936
dc.identifierT. Yildirim, Phys. Rev. Lett. 102, 037003 (2009)
dc.identifierdoi:10.1103/PhysRevLett.102.037003
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/220342
dc.subjectSuperconductivity
dc.subjectMaterials Science
dc.titleThe Unprecedented Giant Coupling of Fe-spin State and the As-As Hybridization in Iron-Pnictide
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