4.6 Article

Ab initio calculations of excitons in AlN and Elliott's model

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PHYSICAL REVIEW B
卷 74, 期 7, 页码 -

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AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevB.74.075203

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The optical absorption and excitonic properties of wurtzite AlN are investigated by means of an ab initio approach taking into account electron-hole correlations. This is done by solving the Bethe-Salpeter equation, using the results of density functional theory calculations as a starting point. The main focus is on the calculation of excitonic spectra near the conduction-band edge. The response is dominated by the exciton A formed out of excitations from valence Gamma(7) band. The n(-2) quantum-number dependence of the energies in Elliott's model fits rather well the ab initio calculations whereas the n(-3) decay of the intensities is less obvious for the calculated oscillator strengths.

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