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Optical properties of liquid pure copper by density functional theory.

Susumu KatoShota OnoAtsushi SunaharaYuji SatoMasahiro Tsukamoto
Published in: Journal of physics. Condensed matter : an Institute of Physics journal (2023)
The optical properties of pure liquid copper were investigated using density functional theory with the Quantum ESPRESSO package. The effects of structural changes were investigated by comparing the electron density of states and imaginary part of the dielectric function between the crystalline and liquid states with densities near the melting point. The results indicated that the effect of interband transitions remains in the structural changes near the melting point.
Keyphrases
  • density functional theory
  • molecular dynamics
  • high resolution
  • ionic liquid
  • atomic force microscopy
  • oxide nanoparticles
  • room temperature
  • mass spectrometry
  • solar cells