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• W2011964684 abstract "The structural, electronic, and optical properties of multiferroic bismuth ferrite (BiFeO3) are investigated using density functional theory within generalized gradient approximation (GGA). The calculated lattice parameters are in good agreement with the experimental data. The electronic structure shows that BiFeO3 has an indirect (very close to direct) band gap of 1.06 eV. The complex dielectric function, absorption spectra, refractive index, extinction coefficient, energy-loss spectrum and reflectivity are calculated, and the results are compared with the available experimental data. Finally, the optical properties of BiFeO3 are discussed based on the band structure calculations." @default.
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• W2011964684 date "2009-04-01" @default.
• W2011964684 modified "2023-10-01" @default.
• W2011964684 title "First-principles study on the electronic and optical properties of BiFeO3" @default.
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• W2011964684 doi "https://doi.org/10.1016/j.ssc.2009.01.023" @default.
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