Modeling phase separation in nonstoichiometric silica
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...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Physical Society
2004
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| Subjects: |
| Summary: | 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. |
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