Effect of P incorporation on aggregation of nanocrystallites in amorphous and nanocrystalline mixed-phase silicon thin films

Abstract We report the effects of P incorporation on the nanometer-scale structural and electrical properties of amorphous and nanocrystalline mixed-phase Si:H films. In the intrinsic and weakly P-doped (3 × 1018 at/cm3) films, the nanocrystallites aggregate to cone-shaped structures. Conductive atomic force microscopy images showed high current flows through the nanocrystalline cones and a distinct two-phase structure in the micrometer range. Adding PH3 into the processing gas moved the amorphous/nanocrystalline transition to a higher hydrogen dilution ratio required for achieving a similar Raman crystallinity. In a heavily P-doped (2 × 1021 at/cm3) film, the nanocrystalline aggregation disappeared, where isolated grains of nanometer sizes were distributed throughout the amorphous matrix. The heavily doped mixed-phase film with 5–10% crystal volume fraction showed a dramatic increase in conductivity. We offer an explanation for the nanocrystalline cone formation based on atomic hydrogen enhanced surface diffusion model, and propose that the coverage of P-related radicals on the existing nanocrystalline surface during film growth and the P segregation in grain boundaries are responsible for preventing new nucleation on the surface of the existing nanocrystallites, resulting in nanocrystallites dispersed throughout the amorphous matrix.