Optical conductivity of metals from first principles
| Autor: | Schindlmayr, Arno |
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| Rok vydání: | 2011 |
| Předmět: | |
| Zdroj: | AIP Conf. Proc. 1176, 157 (2009) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1063/1.3253897 |
| Popis: | 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 linearized augmented-plane-wave method. Comment: 3 pages including 5 figures |
| Databáze: | arXiv |
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