Abstract
Full potential linearized augmented plane wave (FPLAPW) methodcalculations are carried out for semiconducting orthorhombicBaSi2. The optical properties and the origin of the differentoptical transitions are investigated. Our calculated band gap of1.0918 eV is indirect, which is in good agreement with the experimentalresult. The bonds between Ba and Si are considered to be electrovalentbond. The anisotropy in the imaginary part ε2(ω) and real partε1(ω) of the optical dielectric tensor are analysed. Thecontributions of various transition peaks are explained from theimaginary part of the dielectric function.
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