Electron–phonon coupling in copper-substituted lead phosphate apatite

HIGHLIGHTS

• What: The authors compare the electron-phonon coupling strength among the proposed compositions of LK99. In this work, all first principles calculations based on density-functional theory (DFT) are carried out using the Quantum Espresso software package . Using these results, the authors determine 𝜆 for Cu substituted at the Pb(1) site with X=OH and X=O, respectively, at the finest smearing value, placing the results in Table 1.
• Who: Alexander C. Tyner from the Nordita, KTH Royal Institute of Technology and Stockholm University, , Stockholm, Sweden have published the research: Electron-Phonon Coupling in Copper . . .
  

   

  

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