Pb10-x Cu x (PO4)6O: a Mott or charge transfer insulator in need of further doping for (super)conductivity

JOURNAL OF PHYSICS-CONDENSED MATTER(2024)

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摘要
We briefly review the status quo of research on the putative superconductor Pb9Cu(PO4)(6)O also known as LK-99. Further, we provide ab initio derived tight-binding parameters for a two- and five-band model, and solve these in dynamical-mean-field theory. The interaction-to-bandwidth ratio makes LK-99 a Mott or charge transfer insulator. Electron or hole doping (which is different from substituting Pb by Cu and thus differs from LK-99) is required to make it metallic and potentially superconducting.
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关键词
superconductivtiy,strongly correlated electron systems,high temperature superconductor,dynamical mean-field theory,density functional theory,tight binding method,wannier function
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