A b i n i t i o band-structure calculation of the semiconductor β-FeSi2
- 15 September 1990
- journal article
- letter
- Published by AIP Publishing in Journal of Applied Physics
- Vol. 68 (6) , 3027-3029
- https://doi.org/10.1063/1.346415
Abstract
Results for β‐FeSi2 obtained from self‐consistent calculations with the augmented spherical wave ab initio band‐structure method are presented. In accordance with several experimental findings, β‐FeSi2 is found to be a semiconductor. The calculated gap is 0.44 eV and is indirect. The smallest direct gap is 0.46 eV and has a vanishingly small oscillator strength. The first across‐gap transition with an appreciable oscillator strength has a corresponding energy gap of 0.77 eV.This publication has 8 references indexed in Scilit:
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