• DOI:10.1063/1.3253897
• Corpus ID: 118473034

Optical Conductivity of Metals from First Principles

@article{Schindlmayr2009OpticalCO,
  title={Optical Conductivity of Metals from First Principles},
  author={Arno Schindlmayr},
  journal={arXiv: Materials Science},
  year={2009},
  volume={1176},
  pages={157-159}
}

• A. Schindlmayr
• Published 14 October 2009
• Physics
• arXiv: Materials Science

A computational method to obtain optical conductivities from first principles is presented. It exploits a relation between the conductivity and the complex dielectric function, which is constructed from the full electronic band structure within the random‐phase approximation. In contrast to the Drude model, no empirical parameters are used. As interband transitions as well as local‐field effects are properly included, the calculated spectra are valid over a wide frequency range. As an illustration I present quantitative results for selected simple metals, noble metals, and ferromagnetic transition metals. The implementation is based on the full‐potential augmented‐plane‐wave method.