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LAWRENCE BERKLEY NATION LABS…

REPLICATE LK-99 SUPERCONDUCTORS PROPERTIES IN SIMULATIONS.

From LBNL:

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 calcu- lations 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 distor- tion 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 sys- tem. Finally, I discuss the implications of my results on possible superconductivity in Cu-doped apatite.

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