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• W2076071981 abstract "The quantum dynamics of atoms in amorphous silicon has been addressed by using path-integral Monte Carlo simulations. Structural results (radial distribution functions) found from these simulations agree well with experimental data. We study the quantum delocalization of the silicon atoms around their equilibrium positions. This delocalization is larger for coordination defects (fivefold-coordinated Si atoms). Correlations in the atomic displacements are analysed as a function of the interatomic distance and compared with those derived from classical Monte Carlo simulations. At high temperatures, the classical limit is recovered. Our results are also compared with those derived from similar quantum simulations for crystalline silicon. Structural disorder favours a larger vibrational amplitude for the atoms in amorphous silicon." @default.
• W2076071981 created "2016-06-24" @default.
• W2076071981 creator A5016596029 @default.
• W2076071981 date "1999-12-21" @default.
• W2076071981 modified "2023-09-25" @default.
• W2076071981 title "Quantum atomic dynamics in amorphous silicon; a path-integral Monte Carlo simulation" @default.
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• W2076071981 doi "https://doi.org/10.1088/0953-8984/12/3/305" @default.
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