Article ID Journal Published Year Pages File Type
1813924 Physica B: Condensed Matter 2009 5 Pages PDF
Abstract

The electronic structure and the optical properties of In6S7 crystal are calculated by the first-principles full-potential linearized augmented plane wave method (FP-LAPW) using density functional theory (DFT) in its generalized gradient approximation (GGA). The calculated band structure shows that the In6S7 is a semiconductor with a direct band gap in good agreement with experimental studies. Furthermore, the dielectric tensor and the optical properties, such as absorption coefficient, refractive index, extinction coefficient, energy-loss spectrum and reflectivity, are derived and analyzed in the study.

Related Topics
Physical Sciences and Engineering Physics and Astronomy Condensed Matter Physics
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