Unified picture of the doping dependence of superconducting transition temperatures in alkali metal/ammonia intercalated FeSe

Daniel Guterding, Harald Olaf Jeschke, P. J. Hirschfeld, Roser Valentí

Research output: Contribution to journalArticlepeer-review

42 Citations (Scopus)

Abstract

In the recently synthesized Lix(NH2)y(NH3)zFe2Se2 family of iron chalcogenides, a molecular spacer consisting of lithium ions, lithium amide, and ammonia separates the layers of FeSe. It has been shown that upon variation of the chemical composition of the spacer layer, superconducting transition temperatures can reach Tc∼44K, but the relative importance of the layer separation and effective doping to the Tc enhancement is currently unclear. Using state of the art band structure unfolding techniques, we construct eight-orbital models from ab initio density functional theory calculations for these materials. Within an RPA spin-fluctuation approach, we show that the electron doping enhances the superconducting pairing, which is of s± symmetry and explain the experimentally observed limit to Tc in the molecular spacer intercalated FeSe class of materials.

Original languageEnglish
Article number041112
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume91
Issue number4
DOIs
Publication statusPublished - Jan 15 2015
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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