Full-text resources of PSJD and other databases are now available in the new Library of Science.
Visit https://bibliotekanauki.pl
Preferences help
Polish version English version Language
enabled [disable] Abstract
Number of results

Results found: 1

Number of results on page
first rewind previous Page / 1 next fast forward last

Search results

help Sort By:

help Limit search:
first rewind previous Page / 1 next fast forward last
1
Content available remote

The Systematic Variation of Optical Properties of Alkali Halides: an Ab Initio Study

100%
Gonçalves G., Lalic M., Malta O.
Acta Physica Polonica A
|
2007
|
vol. 112
|
issue 5
1043-1048
EN
In this paper we study a correlation between the optical properties, electronic structure and anion-cation electronegativity difference in three groups of alkali halides MX (M = Li, Na, K; X = F, Cl, Br, I). The electronic structure was calculated by first-principle, density-functional theory based full-potential linear augmented plane wave method. Then the complex dielectric function was computed, allowing determination of the optical absorption spectra in all compounds, up to incident radiation energy of 40 eV. The results were interpreted in terms of calculated band structures and correlated with the electronegativity difference in each compound, which was estimated on the basis of topological theory of Bader.
first rewind previous Page / 1 next fast forward last
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.