Optical absorption spectra of P defects in vitreous silica

Luigi Giacomazzi; L. Martin-Samos; A. Alessi; M. Valant; Krishna Chaitanya Gunturu; A. Boukenter; Y. Ouerdane; S. Girard; N. Richard

doi:10.1364/OME.8.000385

Optical absorption spectra of P defects in vitreous silica

Luigi Giacomazzi
, L. Martin-Samos
, A. Alessi
, M. Valant
, Krishna Chaitanya Gunturu
, A. Boukenter
, Y. Ouerdane
, S. Girard
, N. Richard

International School for Advanced Studies (SISSA)
University of Nova Gorica
Laboratoire Hubert Curien UMR CNRS 5516
CEA/UVSQ/CNRS

Research output: Contribution to journal › Article › peer-review

15 Citations (Scopus)

Abstract

We present an investigation of the optical properties of diamagnetic P centers in P-doped silica by means of first-principles calculations, including many-body perturbation theory (GW and Bethe-Salpeter Equation) techniques. The calculated absorption spectra indicate that the 6.9 eV band is originated from the presence of a large number of [(O-)₃P(=O)]⁰ tetrahedra, while only a negligible number of [(O-)₂P(=O)₂]^- tetrahedra could occur. Furthermore we show that positively charged substitutional P atoms can affect the silica absorption spectrum only above ~8 eV, while three-fold P defects are not likely to occur as they should give rise to strong features, not observed, below ~6.5 eV.

Original language	English
Pages (from-to)	385-400
Number of pages	16
Journal	Optical Materials Express
Volume	8
Issue number	2
DOIs	https://doi.org/10.1364/OME.8.000385
Publication status	Published - 1 Feb 2018
Externally published	Yes

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title = "Optical absorption spectra of P defects in vitreous silica",

abstract = "We present an investigation of the optical properties of diamagnetic P centers in P-doped silica by means of first-principles calculations, including many-body perturbation theory (GW and Bethe-Salpeter Equation) techniques. The calculated absorption spectra indicate that the 6.9 eV band is originated from the presence of a large number of [(O-)3P(=O)]0 tetrahedra, while only a negligible number of [(O-)2P(=O)2]- tetrahedra could occur. Furthermore we show that positively charged substitutional P atoms can affect the silica absorption spectrum only above \textasciitilde{}8 eV, while three-fold P defects are not likely to occur as they should give rise to strong features, not observed, below \textasciitilde{}6.5 eV.",

author = "Luigi Giacomazzi and L. Martin-Samos and A. Alessi and M. Valant and Gunturu, \{Krishna Chaitanya\} and A. Boukenter and Y. Ouerdane and S. Girard and N. Richard",

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T1 - Optical absorption spectra of P defects in vitreous silica

AU - Giacomazzi, Luigi

AU - Martin-Samos, L.

AU - Alessi, A.

AU - Valant, M.

AU - Gunturu, Krishna Chaitanya

AU - Boukenter, A.

AU - Ouerdane, Y.

AU - Girard, S.

AU - Richard, N.

PY - 2018/2/1

Y1 - 2018/2/1

N2 - We present an investigation of the optical properties of diamagnetic P centers in P-doped silica by means of first-principles calculations, including many-body perturbation theory (GW and Bethe-Salpeter Equation) techniques. The calculated absorption spectra indicate that the 6.9 eV band is originated from the presence of a large number of [(O-)3P(=O)]0 tetrahedra, while only a negligible number of [(O-)2P(=O)2]- tetrahedra could occur. Furthermore we show that positively charged substitutional P atoms can affect the silica absorption spectrum only above ~8 eV, while three-fold P defects are not likely to occur as they should give rise to strong features, not observed, below ~6.5 eV.

AB - We present an investigation of the optical properties of diamagnetic P centers in P-doped silica by means of first-principles calculations, including many-body perturbation theory (GW and Bethe-Salpeter Equation) techniques. The calculated absorption spectra indicate that the 6.9 eV band is originated from the presence of a large number of [(O-)3P(=O)]0 tetrahedra, while only a negligible number of [(O-)2P(=O)2]- tetrahedra could occur. Furthermore we show that positively charged substitutional P atoms can affect the silica absorption spectrum only above ~8 eV, while three-fold P defects are not likely to occur as they should give rise to strong features, not observed, below ~6.5 eV.

U2 - 10.1364/OME.8.000385

DO - 10.1364/OME.8.000385

M3 - Article

AN - SCOPUS:85041038156

SN - 2159-3930

VL - 8

SP - 385

EP - 400

JO - Optical Materials Express

JF - Optical Materials Express

IS - 2

ER -

Optical absorption spectra of P defects in vitreous silica

Abstract

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