Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102322
Title: Electronic structure and photoluminescence properties of Zn-ion implanted silica glass before and after thermal annealing
Authors: Zatsepin, D. A.
Zatsepin, A. F.
Boukhvalov, D. W.
Kurmaev, E. Z.
Pchelkina, Z. V.
Gavrilov, N. V.
Issue Date: 2016
Publisher: Elsevier B.V.
Citation: Electronic structure and photoluminescence properties of Zn-ion implanted silica glass before and after thermal annealing / D. A. Zatsepin, A. F. Zatsepin, D. W. Boukhvalov, et al. — DOI 10.1016/j.jnoncrysol.2015.10.002 // Journal of Non-Crystalline Solids. — 2016. — Vol. 432. — P. 183-188.
Abstract: The results of XPS core-level and valence band measurements, photoluminescence spectra of a-SiO2 implanted by Zn-ions (E = 30 keV, D = 1 · 1017 cm− 2) and Density Functional Theory calculations of electronic structure as well as formation energies of structural defects in silica glass induced by Zn-ion implantation are presented. Both theory and experiment show that it is energetically more favorable for implanted zinc ions to occupy the interstitial positions instead of cation substitution. As a result, the Zn-ions embedded to interstitials, form chemical bonds with the surrounding oxygen atoms, fabrication ZnO-like nanoparticles and oxygen-deficient SiOx matrix. The subsequent thermal annealing at 900 °C (1 h) strongly reduces the amount of ZnO nanoparticles and induces the formation of secondary α-Zn2SiO4 phase which markedly enhances the green emission. © 2015
Keywords: DFT MODELING
DOPING
PHASE TRANSITION
SPECTROSCOPY
BOND STRENGTH (CHEMICAL)
DENSITY FUNCTIONAL THEORY
DOPING (ADDITIVES)
ELECTRONIC STRUCTURE
GLASS
IONS
NANOPARTICLES
PHASE TRANSITIONS
PHOTOLUMINESCENCE
SILICA
SPECTROSCOPY
ZINC
ZINC OXIDE
CATION SUBSTITUTIONS
DFT MODELING
FORMATION ENERGIES
INTERSTITIAL POSITIONS
PHOTOLUMINESCENCE PROPERTIES
PHOTOLUMINESCENCE SPECTRUM
THERMAL-ANNEALING
ZNO NANOPARTICLES
ION IMPLANTATION
URI: http://hdl.handle.net/10995/102322
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 84951793517
PURE ID: 661064
ISSN: 223093
DOI: 10.1016/j.jnoncrysol.2015.10.002
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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