Abstract:The narrow bandgap in InN has been known as a notorious example of local density approximation or generalized gradient approximation (LDA or GGA) calculations to give a metallic state. Various density functional methods are applied to optimize the atomic structures of the systems. These numerical results are used as the input values for the subsequent GW calculations, which can be applied to estimate the band gap value without phenomenological parameters. It is found that LDA with GW0 or the hybrid functional… Show more
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