Superconductivity of KFe2As2 Under Pressure: Ab Initio Study of Tetragonal and Collapsed Tetragonal Phases

KFe 2 As 2 is one of the representatives of iron-based superconductors. Many interesting features distinguish this compound from other iron-based superconductors, e.g., a realization of the Pauli limit or an occurrence of the superconducting gap with nodal lines. Moreover, with increasing pressure,...

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Bibliographic Details
Published in:Journal of superconductivity and novel magnetism 2020-08, Vol.33 (8), p.2347-2354
Main Authors: Ptok, Andrzej, Kapcia, Konrad Jerzy, Sternik, Małgorzata, Piekarz, Przemysław
Format: Article
Language:English
Subjects:
Characterization and Evaluation of Materials
Condensed Matter Physics
Magnetic Materials
Magnetism
Original Paper
Physics
Physics and Astronomy
Strongly Correlated Systems
Superconductivity
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Summary:KFe 2 As 2 is one of the representatives of iron-based superconductors. Many interesting features distinguish this compound from other iron-based superconductors, e.g., a realization of the Pauli limit or an occurrence of the superconducting gap with nodal lines. Moreover, with increasing pressure, the isostructural phase transition from the tetragonal to collapsed tetragonal phase is experimentally observed. We discuss the structural, electronic, and superconducting properties of the KFe 2 As 2 under pressure using the ab initio density functional theory (DFT) methods. We analyze the untypical properties of this superconductor considering, among others, the Fermi surfaces or the dependence of the anion height from the iron layer on the superconducting critical temperature.
ISSN:1557-1939
1557-1947
DOI:10.1007/s10948-020-05454-w