It is shown that the use of reverse Monte Carlo simulation provides valuable contributions along the entire route from the experimental structure factor to three-dimensional structural models. In particular, the estimation of the microscopic number density and the evaluation of the pair correlation function is described for some elemental amorphous semiconductors. The importance of generating different atomic models of these materials using geometrical constraints is also emphasized.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Materials Chemistry