First-principles calculations of the optical properties of metals

E. G. Maksimov, I. I. Mazin, Sergey Rashkeev, Yu A. Uspenski

Research output: Contribution to journalArticle

67 Citations (Scopus)

Abstract

The authors have calculated the optical properties (dielectric function, reflectivity and electron energy loss function) of 15 metals, including all the 4d series, some 3d metals and some noble and simple metals. The calculations are based on the LMTO band structure with optical matrix elements. The very good quantitative agreement with optical measurements provides an a posteriori justification of the use of local density functional method in the calculations of the dynamical response in metals and also allows an analysis of the general trends in optical properties from the electronic structure point of view.

Original languageEnglish
Article number018
Pages (from-to)833-849
Number of pages17
JournalJournal of Physics F: Metal Physics
Volume18
Issue number4
DOIs
Publication statusPublished - 1 Dec 1988
Externally publishedYes

Fingerprint

Optical properties
Metals
optical properties
metals
noble metals
optical measurement
Band structure
Electronic structure
Energy dissipation
energy dissipation
electron energy
electronic structure
reflectance
trends
energy
Electrons
matrices

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)
  • Metals and Alloys

Cite this

First-principles calculations of the optical properties of metals. / Maksimov, E. G.; Mazin, I. I.; Rashkeev, Sergey; Uspenski, Yu A.

In: Journal of Physics F: Metal Physics, Vol. 18, No. 4, 018, 01.12.1988, p. 833-849.

Research output: Contribution to journalArticle

Maksimov, E. G. ; Mazin, I. I. ; Rashkeev, Sergey ; Uspenski, Yu A. / First-principles calculations of the optical properties of metals. In: Journal of Physics F: Metal Physics. 1988 ; Vol. 18, No. 4. pp. 833-849.
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