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Origin of correlated isolated flat bands in copper-substituted lead phosphate apatite

2023/07/31 by Sinéad M. Griffin, Griffin, Sinéad M. · 28 voices · 4 citations
Materials Science · Physics and Astronomy · #Iron-based superconductors research #Physics of Superconductivity and Magnetism #Rare-earth and actinide compounds #cond-mat.mtrl-sci #cond-mat.str-el #cond-mat.supr-con

paper · pdf · doi:10.48550/arxiv.2307.16892

openalex publication_date 2023/07/31 · openalex created_date 2023/08/02 · openalex updated_date 2026/07/28

Abstract

A recent report of room temperature superconductivity at ambient pressure in Cu-substituted apatite (`LK99') has invigorated interest in the understanding of what materials and mechanisms can allow for high-temperature superconductivity. Here I perform density functional theory calculations on Cu-substituted lead phosphate apatite, identifying correlated isolated flat bands at the Fermi level, a common signature of high transition temperatures in already established families of superconductors. I elucidate the origins of these isolated bands as arising from a structural distortion induced by the Cu ions and a chiral charge density wave from the Pb lone pairs. These results suggest that a minimal two-band model can encompass much of the low-energy physics in this system. Finally, I discuss the implications of my results on possible superconductivity in Cu-doped apatite.

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