Research Article
Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of -Bi2O3
Figure 3
Calculated energy bands for δ-Bi2O3 considering spin-orbit interaction and using density functionals (a) LDA, (b) B3PW91, and (c) PBE96. Fermi energy () is located at 0.0 eV.
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| (b) |
| (c) |