Abstract
By using the first-principles, the electronic structure and optical properties of CN point defects on sidewall surface of [0 0 0 1]-oriented GaN nanowires were calculated. We found that CN point defects are more likely to be enriched on the surface of the GaN NWs. In addition, the closer the CN point defect to the sidewall of the GaN NWs, the greater the effects of CN point defect to the top of valence band. The CN point defects in different depths may lead to the yellow luminescence, and the red shift of PL spectral wavelength would occur when it tends to the surface. This may be one of the reasons for the broadening of the yellow luminescence.
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