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Tight-binding study of structure and vibrations of amorphous silicon [41]

Publication ,  Journal Article
Feldman, JL; Bernstein, N; Papaconstantopoulos, DA; Mehl, MJ
Published in: Physical Review B - Condensed Matter and Materials Physics
October 1, 2004

We present a tight-binding calculation that, for the first time, accurately describes the structural, vibrational and elastic properties of amorphous silicon. We compute the interatomic force constants and find an unphysical feature of the Stillinger-Weber empirical potential that correlates with a much noted error in the radial distribution function associated with that potential. We also find that the intrinsic first peak of the radial distribution function is asymmetric, contrary to usual assumptions made in the analysis of diffraction data. We use our results for the normal mode frequencies and polarization vectors to obtain the zero-point broadening effect on the radial distribution function, enabling us to directly compare theory and a high resolution x-ray diffraction experiment.

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Published In

Physical Review B - Condensed Matter and Materials Physics

DOI

ISSN

0163-1829

Publication Date

October 1, 2004

Volume

70

Issue

16

Start / End Page

1 / 5
 

Citation

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Feldman, J. L., Bernstein, N., Papaconstantopoulos, D. A., & Mehl, M. J. (2004). Tight-binding study of structure and vibrations of amorphous silicon [41]. Physical Review B - Condensed Matter and Materials Physics, 70(16), 1–5. https://doi.org/10.1103/PhysRevB.70.165201
Feldman, J. L., N. Bernstein, D. A. Papaconstantopoulos, and M. J. Mehl. “Tight-binding study of structure and vibrations of amorphous silicon [41].” Physical Review B - Condensed Matter and Materials Physics 70, no. 16 (October 1, 2004): 1–5. https://doi.org/10.1103/PhysRevB.70.165201.
Feldman JL, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Tight-binding study of structure and vibrations of amorphous silicon [41]. Physical Review B - Condensed Matter and Materials Physics. 2004 Oct 1;70(16):1–5.
Feldman, J. L., et al. “Tight-binding study of structure and vibrations of amorphous silicon [41].” Physical Review B - Condensed Matter and Materials Physics, vol. 70, no. 16, Oct. 2004, pp. 1–5. Scopus, doi:10.1103/PhysRevB.70.165201.
Feldman JL, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Tight-binding study of structure and vibrations of amorphous silicon [41]. Physical Review B - Condensed Matter and Materials Physics. 2004 Oct 1;70(16):1–5.

Published In

Physical Review B - Condensed Matter and Materials Physics

DOI

ISSN

0163-1829

Publication Date

October 1, 2004

Volume

70

Issue

16

Start / End Page

1 / 5