Formation of SiP 2 Nanocrystals Embedded in SiO 2 from Phosphorus-Rich SiO 1.5 Thin Films

We investigate the structural, vibrational and optical properties of phosphorus-rich SiO 1.5 thin films annealed at 1100°C. For phosphorus (P) contents larger than 3 at. %, high resolution transmission electron microscopy characterizations reveal the presence of both spherical shaped SiP 2 nanoparticles crystallizing in an orthorhombic structure and bumps in epitaxy with the underlying Si substrate. Energy dispersive spectroscopy measurements confirm the SiP 2 stoichiometry. Moreover, electron energy loss spectroscopy characterizations allow us to determine the exact location of P and Si atoms. Apart from SiP 2 nanoparticles, P atoms are found to be located in the bumps and in the Si substrate to a level of 1 at. %, which is explained by P diffusion during annealing. The vibrational properties determined by Raman spectroscopy are found to be in excellent agreement with density functional theory calculations of the vibration modes for the SiP 2 alloy. Finally, the quenching of the photoluminescence with the increasing P content is explained on the basis of the structural data.

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