Optical and transport properties of wurtzite GaN layers, grown by plasma-assisted molecular-beam epitaxy on Si͑111͒ substrates, have been investigated. An emission at 3.455 eV, analyzed by continuous-wave and time-resolved luminescence in undoped and Si-doped GaN layers, is assigned to excitons bound to Si donors with an optical binding energy of 50 meV. A common origin of this peak, for undoped and Si-doped GaN, is backed by secondary-ion-mass spectroscopy that evidences a Si diffusion from the substrate into the GaN layer for growth temperatures above 660°C. Simultaneously, Ga diffusion into the Si substrate generates a highly p-type conductive layer at the GaN/Si interface, leading to unreliable Hall data in undoped and lightly doped layers. Positron annihilation reveals a concomitant vacancy cluster generation at the GaN/Si interface in samples grown above 660°C. No traces of the ''yellow band'' are detected either in undoped or in Si-doped samples. ͓S0163-1829͑98͒00827-3͔
Positron annihilation experiments have been performed to identify native point defects in GaN bulk crystals as well as in epitaxial layers. The results show that Ga vacancies are present at concentrations of 1017 – 1018 cm−3 in undoped GaN bulk crystals and layers, whereas the Mgdoped samples are free of Ga vacancies. The Ga vacancies are negatively charged and their concentration correlates with the intensity of the yellow luminescence. We conclude that the Ga vacancies contribute to the electrical compensation of n-type GaN and their acceptor levels are involved in the yellow luminescence transition.
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