Dr. Dmitri S. Kilin Profile

Dr. Dmitri S. Kilin

at Univ of Florida

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Proceedings Article | 25 August 2009 Paper

Electronic confinement effects and optical properties of multilayer slabs of silicon: numerical model studies

Christopher Obara, Dmitri Kilin, David Micha

Proceedings Volume 7396, 73960O (2009) https://doi.org/10.1117/12.828179

KEYWORDS: Electrons, Silicon, Absorption, Solar energy, 3D modeling, Optical properties, Thin films, Photovoltaics, Solids, Motion models

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The surface properties of Si(111) : H can be modeled by means of a Si slab with increasing number of layers. A slab is modeled here with a finite periodic potential for electrons, parameterized with information about atomic radii and electron binding energies. The model is then solved numerically to obtain electronic energy levels and the shape of layer orbitals. The procedure provides trends in confinement and optical absorption intensities. Results include electronic band gap excitation energies, and intensities of absorption as function of light frequency, α(ω), from calculated electric transition dipoles and density of states. Electronic orbitals obtained here and from previous ab initio calculations show patterns of periodicity due to confinement effects. These effects influence the optical properties of the surface when it is excited by visible light as described by means of absorption selection rules. Our results for the absorption coefficient are compared with experimental curves showing the same pattern of stepwise increases with increasing photon energies.

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