The MRO-accompanied modes of Re-implantation into SiO2-host matrix: XPS and DFT based scenarios

摘要

The following scenarios of Re-embedding into SiO2-host by pulsedRe-implantation were derived and discussed after XPS-and-DFT electronicstructure qualification: (i) low Re-impurity concentration mode -> theformation of combined substitutional and interstitial impurities withRe2O7-like atomic and electronic structures in the vicinity of oxygenvacancies; (ii) high Re-impurity concentration mode -> the fabrication ofinterstitial Re-metal clusters with the accompanied formation of ReO2-likeatomic structures and (iii) an intermediate transient mode with Re-impurityconcentration increase, when the precursors of interstitial defect clusters areappeared and growing in the host-matrix structure occur. An amplificationregime of Re-metal contribution majority to the final Valence Band structurewas found as one of the sequences of intermediate transient mode. It was shownthat most of the qualified and discussed modes were accompanied by the MRO(middle range ordering) distortions in the initial oxygen subnetwork of thea-SiO2 host-matrix because of the appeared mixed defect configurations.