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Defect interconversion occurs during the manufacturing or usage process in fused silica, which dramatically influences the performance of the devices. We report first-principle calculations of two similar defect structures, POL (Si–O–O–Si, peroxy linkage) and POR-E' pair center (Si–O–O⋅ … ⋅Si, peroxy radical with a three coordinated Si atom), in a 96-atom fused silica that unveils significantly more...
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