#### Title

Hyperuniformity and Static Structure Factor of Amorphous Silicon In the Infinite-Wavelength Limit

#### Document Type

Conference Proceeding

#### Publication Date

2-19-2018

#### Department

Physics and Astronomy

#### School

Mathematics and Natural Sciences

#### Abstract

The static structure factor of amorphous silicon (*a*-Si) models, containing 400,000 atoms with a density of 2.25 g⋅cm^{−3}, has been studied by generating atomistic models using classical molecular-dynamics simulations. The behavior of the structure factor, *S*(*Q*), in the limit *Q* → 0, is examined to determine the degree of hyperuniformity in a-Si and is compared with the results with those from earlier simulations and small-angle X-ray scattering experiments. The study suggests that the computed value of the relative variance of the number of atoms at large distances, and hence *S*(*Q* → 0), lies in the range from 0.00736 to 0.00758, which is very close to the experimental value of 0.0076 ± 0.0005, obtained from an extrapolation of transmission X-ray scattering data in the small-angle region. The non-zero value of the structure factor *S*(0) in *a*-Si can be attributed to density fluctuations on a very large length scale, which is a characteristic property of the structural and topological ordering of silicon atoms in the amorphous state.

#### Publication Title

Journal of Physics: Conference Series

#### Volume

1252

#### First Page

1

#### Last Page

6

#### Recommended Citation

Dahal, D.,
Atta-Fynn, R.,
Elliott, S. R.,
Biswas, P.
(2018). Hyperuniformity and Static Structure Factor of Amorphous Silicon In the Infinite-Wavelength Limit. *Journal of Physics: Conference Series, 1252*, 1-6.

Available at: https://aquila.usm.edu/fac_pubs/17230