Electronic and optical properties of isostructural {beta}-FeSi{sub 2} and OsSi{sub 2}
We present both theoretical and experimental investigations of electronic and optical properties of isostructural {beta}-FeSi{sub 2} and OsSi{sub 2} by means of a full-potential linear augmented plane wave method and optical measurements. We report also ellipsometric and reflectance measurements on samples of polycrystalline osmium disilicide prepared by mechanical alloying. From ab initio calculations these compounds are found to be indirect band-gap semiconductors with the fundamental gap of OsSi{sub 2} larger some 0.3--0.4 eV than the one of {beta}-FeSi{sub 2}. In addition to that, a low value of the oscillator strength is predicted for the first direct transitions in both cases. Computed optical functions for these materials were compared to the ones deduced from optical measurements, indicating very good agreement and the presence of some anisotropic effects.
- Sponsoring Organization:
- (US)
- OSTI ID:
- 40230915
- Journal Information:
- Physical Review B, Vol. 64, Issue 7; Other Information: DOI: 10.1103/PhysRevB.64.075208; Othernumber: PRBMDO000064000007075208000001; 090131PRB; PBD: 15 Aug 2001; ISSN 0163-1829
- Publisher:
- The American Physical Society
- Country of Publication:
- United States
- Language:
- English
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