Metallic states in Pb$_{10}$(PO$_4$)$_6$O induced by the Cu/O-insertions and carrier dopingThe reports of room-temperature superconductivity in Cu-doped Pb-apatite drawintense interests and debates. Herein, based on the density functional theory,we show that the Cu-insertion in Pb-apatite is thermodynamically stable andfurther carrier doping can convert the system CuPb$_{10}$(PO$_4$)$_6$O intometal. The electric conduction is mainly along the one-dimensional (1D) Cu-Ochains in the c-axis (out-of-plane). The calculated conductance along thec-axis is larger than the in-plane ones by 2 magnitude orders, indicating the1D conduction behavior. Moreover, the 1D Cu-O chain is an anti-ferromagneticMott insulator at zero-doping point due to the super-exchange. Furtherelectron/hole-doping will erase the anti-ferromagnetism. Therefore, theCu-inserted system CuPb$_{10}$(PO$_4$)$_6$O show transport and magneticfeatures similar to the cuprate superconductors. On the other hand, theO-insertion can also induce the metallic states, in which the conductance alongthe out-of-plane direction is higher than the in-plane direction by 6-folds.Our results display the metallization of Pb$_{10}$(PO$_4$)$_6$O viaCu/O-insertions, and suggesting the electric conductions along the c-axis mightdominate the transport behaviors.arxiv.org


이거 utc기준 8월 13일 16시에 submit 찍혀있던데 이거 말고 다른거 있나?