Electronic correlations in promising room-temperature superconductor Pb$_9$Cu(PO$_4$)$_6$O: a DFT+DMFT study

We present results of the first investigations on the correlated nature of electronic states that cross the Fermi level in Pb $_{9}$ Cu(PO $_{4}$ ) $_{6}$ O aka LK-99 obtained within the DFT + DMFT approach. Coulomb correlations between Cu- $d$ electrons led to the opening of the band gap between the extra-O $p$ and Cu $d_{x z} / d_{y z}$ states. We state that oxygen $p$ states play a significant role in the electronic properties of LK-99. We also assume that doping with electrons is necessary to turn the stoichiometric Pb $_{9}$ Cu(PO $_{4}$ ) $_{6}$ O into conducting state.

Electronic correlations in promising room-temperature superconductor Pb $_{9}$ Cu(PO $_{4}$ ) $_{6}$ O: a DFT+DMFT study

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Electronic correlations in promising room-temperature superconductor Pb $_{9}$ Cu(PO $_{4}$ ) $_{6}$ O: a DFT+DMFT study

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Electronic correlations in promising room-temperature superconductor Pb99​Cu(PO44​)66​O: a DFT+DMFT study

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Electronic correlations in promising room-temperature superconductor Pb99​Cu(PO44​)66​O: a DFT+DMFT study

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Electronic correlations in promising room-temperature superconductor Pb $_{9}$ Cu(PO $_{4}$ ) $_{6}$ O: a DFT+DMFT study

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Electronic correlations in promising room-temperature superconductor Pb $_{9}$ Cu(PO $_{4}$ ) $_{6}$ O: a DFT+DMFT study

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