Many body effects in the excitation spectrum of a defect in SiC

Abstract

We show that electron correlations control the photophysics of defects in SiC through both renormalization of the quasiparticle bandstructure and exciton effects. We consider the carbon vacancy, which is a well-identified defect with two possible excitation channels that involve conduction and valence band states. Corrections to the Kohn-Sham ionization levels are found to strongly depend on the occupation of the defect state. Excitonic effects introduce a red shift of 0.23 eV. The analysis unambigiously re-assigns excitation mechanism at the thresholds in photo-induced paramagnetic resonance measurements [J. Dashdorj \emph{et al.}, J. Appl. Phys. \textbf{104}, 113707 (2008)].

References in corpus (2)

• Yambo: an \textit{ab initio} tool for excited state calculations
• Defect Formation Energies without the Band-Gap Problem: Combining DFT and GW for the Silicon Self-Interstitial

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