کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1333216 | 979070 | 2010 | 5 صفحه PDF | دانلود رایگان |
The TD-B3LYP method and the plane-wave formalism of DFT method were applied to predict the blue luminescence and nonlinear optical effect of C-doped GaN, respectively. The introduction of carbon dopant will generate different acceptor or donor levels, which are mainly composed by p electronic state, within the energy gap of GaN. Exploring the calculated luminescence spectra based on the optimized excited-state structure, CN:GaN exhibits high luminescence intensity and has nice monochromatic property. In addition, the corresponding second-order nonlinear optical coefficients are considerable, χ(2)xzx=−15.07 pm/V and χ(2)zzz=26.91 pm/V, which are about 28 times and 50 times of the second-order optical coefficient of KDP crystal.
Carbon dopant may introduce the different acceptor or donor level. The blue luminescence of C:GaN are considerable in the region of 400–480 nm, especially that of CN:GaN.Figure optionsDownload as PowerPoint slide
Journal: Journal of Solid State Chemistry - Volume 183, Issue 12, December 2010, Pages 2741–2745