Anomalous small-angle X-ray scattering of nanoporous two-phase atomistic models for amorphous silicon-germanium alloys

摘要: Abstract The present work deals with a detailed analysis of the anomalous small-angle X-ray scattering in amorphous silicon–germanium alloy using simulation technique. We envisage nanoporous two-phase model consisting mixture Ge-rich and Ge-poor domains voids at nanoscale. By substituting Ge atoms for Si silicon network, compositionally heterogeneous alloys are generated various composition-contrasts between two phases. After relaxing as-generated structure, we compute its radial distribution function, then deduce by Fourier transform technique pattern. Using smoothing procedure, computed patterns corrected termination errors due to finite size model, allowing so rigorous quantitative scattering. Our shows that, as expected, is tool choice characterizing compositional heterogeneities coexisting structural inhomogeneities an alloy. Furthermore, sizes nanoheterogeneities, measured technique, energy independent. A separated reduced scattering, defined this work, provided good estimate their size.