English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

The search for room-temperature superconductors has been a long-standing goalin condensed matter physics. In this study, we investigate the electronic andgeometric properties of lead apatite with and without Cu doped within the framework of the density functional theory. Based on our calculations, we found thatwithout the Cu doped the lead apatite shows an insulator character with flatbands straddle the Fermi level. Once we introduce the O1 vacancies, the flatbands disappear. Furthermore, we analyze the effects of Cu doping on thecrystal structure and electronic band structure of the material. Ourcalculations reveal the presence of one-dimensional channels induced by fullyoccupied O1 atoms, that are only 1/4 occupied in the literature, which may playa crucial role in the realization of room-temperature superconductivity. Basedon our findings, we propose a possible solution to improve the quality ofsuperconductivity by annealing the material in an oxygen atmosphere. Theseresults contribute to a better understanding of the unusual properties ofCu-doped lead apatite and will pave the way for further exploration of itspotential as a room-temperature superconductor.

The 1/4 occupied O atoms induced ultraflat band and the one dimensional channels in the Pb$_{10-x}$Cu$_{x}$(PO$_4$)$_{6}$O$_{4}$ (x=0,0.5) crystal