Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102078
Title: The MRO-accompanied modes of Re-implantation into SiO2-host matrix: XPS and DFT based scenarios
Authors: Zatsepin, A. F.
Zatsepin, D. A.
Boukhvalov, D. W.
Gavrilov, N. V.
Shur, V. Y.
Esin, A. A.
Шур, В. Я.
Issue Date: 2017
Publisher: Elsevier Ltd
Citation: The MRO-accompanied modes of Re-implantation into SiO2-host matrix: XPS and DFT based scenarios / A. F. Zatsepin, D. A. Zatsepin, D. W. Boukhvalov, et al. — DOI 10.1016/j.jallcom.2017.09.036 // Journal of Alloys and Compounds. — 2017. — Vol. 728. — P. 759-766.
Abstract: The following scenarios of Re-embedding into SiO2-host by pulsed Re-implantation were derived and discussed after XPS-and-DFT electronic structure qualification: (i) low Re-impurity concentration mode → the formation of combined substitutional and interstitial impurities with Re2O7-like atomic and electronic structures in the vicinity of oxygen vacancies; (ii) high Re-impurity concentration mode → the fabrication of interstitial Re-metal clusters with the accompanied formation of ReO2-like atomic structures and (iii) an intermediate transient mode with Re-impurity concentration increase, when the precursors of interstitial defect clusters are appeared and growing in the host-matrix structure occur. An amplification regime of Re-metal contribution majority to the final Valence Band structure was found as one of the sequences of intermediate transient mode. It was shown that most of the qualified and discussed modes were accompanied by the MRO (middle range ordering) distortions in the initial oxygen subnetwork of the a-SiO2 host-matrix because of the appeared mixed defect configurations. © 2017 Elsevier B.V.
Keywords: CLUSTERIZATION
DFT
DOPING
OXIDES
PHASE TRANSITION
RHENIUM
SILICA
XPS
DOPING (ADDITIVES)
ELECTRONIC STRUCTURE
IMPURITIES
OXIDES
OXYGEN VACANCIES
PHASE TRANSITIONS
SILICA
X RAY PHOTOELECTRON SPECTROSCOPY
CLUSTERIZATION
DEFECT CONFIGURATIONS
IMPURITY CONCENTRATION
INTERSTITIAL DEFECTS
INTERSTITIAL IMPURITIES
METAL CLUSTER
MIDDLE RANGE ORDERING
TRANSIENT MODES
RHENIUM
URI: http://hdl.handle.net/10995/102078
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85028959625
PURE ID: 2118535
403364f2-6d37-4e22-9015-0f5ebb0b6e94
ISSN: 9258388
DOI: 10.1016/j.jallcom.2017.09.036
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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