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- W1915692928 abstract "In this study, the geometric structural optimization, electronic band structure and total density of states for electrons of ferroelectric Bi 2 NbO 5 F structure with space group Pca2 1 at room temperature have been investigated by Augmented Plane Wave method (APW) using the density functional theory (DFT) under the local density approximation (LDA). The ground state properties of ferroelectric Bi 2 NbO 5 F structure are studied. The computed ground state properties and experimental results are consistent. The energy band structure of Bi 2 NbO 5 F compound below T c shows that it is a ferroelectric semiconductor with narrow band gap of 0.0589 eV. Unfortunately, there is neither experimental nor theoretical electronic band structure study of Bi 2 NbO 5 F crystal in the literature, so we could not compare our results." @default.
- W1915692928 created "2016-06-24" @default.
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- W1915692928 date "2014-08-11" @default.
- W1915692928 modified "2023-10-18" @default.
- W1915692928 title "CALCULATION OF ELECTRONIC BAND STRUCTURE OF FERROELECTRIC SEMICONDUCTOR BISMUTH NIOBIUM OXYFLUORIDE (Bi2NbO5F) CRYSTAL" @default.
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