Links between the Crystal and Electronic Structure in the New Family of Unconventional Superconductors A<inf>2</inf>Cr<inf>3</inf>As<inf>3</inf> (A = K, Rb, Cs)

Pere Alemany, Enric Canadell

    Research output: Contribution to journalArticleResearchpeer-review

    13 Citations (Scopus)

    Abstract

    © 2015 American Chemical Society. The electronic structure of a new family of superconductors is examined through density functional theory calculations. In contrast with other quasi-1D superconductors, these phases exhibit a relatively complex electronic structure and the Fermi surface contains both 1D and 3D components. It is shown that cations have an almost nil influence on the electronic structure. The absence of a structural Peierls modulation is discussed, and the differences with the structurally related M2Mo6Se6 (M = Tl, In,...) superconductors are stressed. The large electron mass renormalization and the lack of clear correlation between N(EF) and Tc suggest the existence of strong electron correlations and an unconventional origin of the superconductivity. (Graph Presented).
    Original languageEnglish
    Pages (from-to)8029-8034
    JournalInorganic Chemistry
    Volume54
    Issue number16
    DOIs
    Publication statusPublished - 17 Aug 2015

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