Research Article
Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of -Bi2O3
Figure 5
Charge density profile for δ-Bi2O3 obtained by using LDA (a, b), B3PW91 (c, d), and PBE96 (e, f) exchange-correlation functionals. The charge profiles are plotted in (100) and (110) planes. Each atom has been identified with the corresponding chemical symbol.
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