title: Modeling phase separation in nonstoichiometric silica.
abstract: We have modeled the decomposition of nonstoichiometric amorphous SiOx upon annealing into silicon and stoichiometric silica, using a new method based on mapping Metropolis Monte Carlo simulations onto rate equations. The concentrations of all oxidation states of silicon are derived as a function of time and found to attain steady-state values at long times dependent on temperature T and oxygen content x. The degree of phase separation and the sizes of Si particles are predicted as a function of T and x, enabling greater control over the size of silicon quantum dots in silica matrices.
authors.affiliation: Department of Materials, University of Oxford, Parks Road, Oxford OXI 3PH, United Kingdom.
authors.forename: V M
authors.initials: VM
authors.lastname: Burlakov
authors.forename: G A D
authors.initials: GA
authors.lastname: Briggs
authors.forename: A P
authors.initials: AP
authors.lastname: Sutton
authors.forename: Angelo
authors.initials: A
authors.lastname: Bongiorno
authors.forename: Alfredo
authors.initials: A
authors.lastname: Pasquarello