Research Article

Electronic and Optical Properties of Sodium Niobate: A Density Functional Theory Study

Figure 3

NaNbO3 electronic band structures calculated for the simple cubic perovskite phase employing different exchange-correlation potentials: (a) the conventional PBE functional of Perdew et al. [16], (b) the PBEsol functional revised for solids [18], (c) the AM05 functional [17], and (d) the PBE0 hybrid functional [19]. Zero energy has been rescaled to the valence band maximum (at the M point).
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