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Published online by Cambridge University Press: 10 February 2011
Second harmonic generation coefficients were calculated from first-principles for wurtzite GaN, AlN and the (0001) superlattices (SL) (GaN)n,(AlN)n for n = 2, 4. The effects of the LDA gap underestimate are discussed. The SLs are found to have a strongly reduced static SHG response. The frequency dependent SHG coefficients are found to be sensitive to the SL band structure and to differ significantly form a superposition of the bulk components, indicating a strong intermixing of the bands.