Atomistic simulation of light-induced changes in hydrogenated amorphous silicon

Abstract

We employ ab initio molecular dynamics to simulate the response of hydrogenated amorphous silicon to light exposure (Staebler-Wronski effect). We obtain improved microscopic understanding of PV operation, compute the motion of H atoms, and modes of light-induced degradation of photovoltaics. We clarify existing models of light-induced change in aSi:H and show that the Hydrogen collision model of Branz3 is correct in essentials.

10 pages, 3 figures, to be published in J. Phys. Cond matt. (Letter)

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• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• High-quality continuous random networks
• The electron-phonon coupling is large for localized states
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Cited by in corpus (2)

• Hydrogen dynamics and light-induced structural changes in hydrogenated amorphous silicon
• Network structure and dynamics of hydrogenated amorphous silicon