Electronic and optical properties of FeS2 and CoS2

Authors
Ahuja, R Eriksson, O Johansson, E
Citation
R. Ahuja et al., Electronic and optical properties of FeS2 and CoS2, PHIL MAG B, 78(5-6), 1998, pp. 475-480
Citations number
24
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICSELECTRONIC OPTICAL AND MAGNETIC PROPERTIES
ISSN journal
13642812 → ACNP
Volume
78
Issue
5-6
Year of publication
1998
Pages
475 - 480
Database
ISI
SICI code
1364-2812(199811/12)78:5-6<475:EAOPOF>2.0.ZU;2-0
Abstract
We have used the linear muffin-tin orbital method, without geometrical cons traints on the electron density or potential, to calculate the electronic s tructure of FeS2 and CoS2. From the self-consistent potential we have compu ted the energy bands and the frequency dependent dielectric function. The c alculated dielectric function is found to be in good agreement with availab le experimental data.