Real space information from Fluctuation electron microscopy: Applications to amorphous silicon

Details Real space information from Fluctuation electron microscopy: Applications to amorphous silicon Real space information from Fluctuation electron microscopy: Applications to amorphous silicon

2007-07-26

arxiv.org/abs/0707.4012v1

Physics

Condensed Matter

Disordered Systems and Neural Networks

13 pages, 10 figures, invited paper for the workshop on Nanoscale Order in Amorphous and Partially ordered Solids, Trinity Col

Scientific paper

10.1088/0953-8984/19/45/455202

Ideal models of complex materials must satisfy all available information about the system. Generally, this information consists of experimental data, information implicit to sophisticated interatomic interactions and potentially other {\it a priori} information. By jointly imposing first-principles or tight-binding information in conjunction with experimental data, we have developed a method: Experimentally Constrained Molecular Relaxation (ECMR) that uses {\it all} of the information available. We apply the method to model medium range order in amorphous silicon using Fluctuation Electron microscopy (FEM) data as experimental information. The paracrystalline model of medium range order is examined, and a new model based on voids in amorphous silicon is proposed. Our work suggests that films of amorphous silicon showing medium range order (in FEM experiments) can be accurately represented by a continuous random network model with inhomogeneities consisting of ordered grains and voids dispersed in the network.

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