TY - JOUR
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.
N1 - Publisher Copyright:
© 2018 Optical Society of America.
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 -