Physical Review B (Rapid Communications) 70 161304 (R) (2004)
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The electronic structure consequences of the perturbations caused by dilute nitrogen impurities in GaP are studied by means of supercell calculations using a fully atomistic empirical pseudopotential method. We find that numerous localized states are introduced by a single N atom and N clusters, not only close to the band edge but also throughout the GaP conduction band, up to ~1 eV above the conduction band edge. These localized states suggest a new interpretation for a previously puzzling observation of splitting of PLE intensity at the GaP Gamma1c energy into two features, one blue shifting and the other staying pinned in energy with increasing N concentration.
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