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Ab initio study of the nonlinear optical susceptibility of Te O2 -based glasses. / Mirgorodsky, A. P.; Soulis, M.; Thomas, P.; Merle-Méjean, T.; Smirnov, M.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 73, No. 13, 134206, 2006.

Research output: Contribution to journalArticlepeer-review

Harvard

Mirgorodsky, AP, Soulis, M, Thomas, P, Merle-Méjean, T & Smirnov, M 2006, 'Ab initio study of the nonlinear optical susceptibility of Te O2 -based glasses', Physical Review B - Condensed Matter and Materials Physics, vol. 73, no. 13, 134206. https://doi.org/10.1103/PhysRevB.73.134206

APA

Mirgorodsky, A. P., Soulis, M., Thomas, P., Merle-Méjean, T., & Smirnov, M. (2006). Ab initio study of the nonlinear optical susceptibility of Te O2 -based glasses. Physical Review B - Condensed Matter and Materials Physics, 73(13), [134206]. https://doi.org/10.1103/PhysRevB.73.134206

Vancouver

Mirgorodsky AP, Soulis M, Thomas P, Merle-Méjean T, Smirnov M. Ab initio study of the nonlinear optical susceptibility of Te O2 -based glasses. Physical Review B - Condensed Matter and Materials Physics. 2006;73(13). 134206. https://doi.org/10.1103/PhysRevB.73.134206

Author

Mirgorodsky, A. P. ; Soulis, M. ; Thomas, P. ; Merle-Méjean, T. ; Smirnov, M. / Ab initio study of the nonlinear optical susceptibility of Te O2 -based glasses. In: Physical Review B - Condensed Matter and Materials Physics. 2006 ; Vol. 73, No. 13.

BibTeX

@article{82c6490338944b72b3a64c09f691f75e,
title = "Ab initio study of the nonlinear optical susceptibility of Te O2 -based glasses",
abstract = "To gain a better insight into the origin of the outstanding nonlinear optic susceptibilities of Te O2 -based glasses whose numerical characteristics are almost two orders of magnitude higher than those of Si O2 -based glasses, a comparative computer simulation of their dielectric properties was performed using ab initio studies of a series of (Si O2) p and (Te O2) p polymer molecules. This comparison showed that these properties are reproducible only in a Te O2 glass simulated as an ensemble of chainlike (Te O2) p polymer molecules with p→∞, which was interpreted as evidence for the essential nonlocality of the electronic polarizability mechanism in that glass. The relevant model calculations showed the reasonableness of this hypothesis, which was subsequently used to explain the influence of modifier content on the nonlinear optic susceptibility of the tellurite glasses.",
author = "Mirgorodsky, {A. P.} and M. Soulis and P. Thomas and T. Merle-M{\'e}jean and M. Smirnov",
note = "Copyright: Copyright 2008 Elsevier B.V., All rights reserved.",
year = "2006",
doi = "10.1103/PhysRevB.73.134206",
language = "English",
volume = "73",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "13",

}

RIS

TY - JOUR

T1 - Ab initio study of the nonlinear optical susceptibility of Te O2 -based glasses

AU - Mirgorodsky, A. P.

AU - Soulis, M.

AU - Thomas, P.

AU - Merle-Méjean, T.

AU - Smirnov, M.

N1 - Copyright: Copyright 2008 Elsevier B.V., All rights reserved.

PY - 2006

Y1 - 2006

N2 - To gain a better insight into the origin of the outstanding nonlinear optic susceptibilities of Te O2 -based glasses whose numerical characteristics are almost two orders of magnitude higher than those of Si O2 -based glasses, a comparative computer simulation of their dielectric properties was performed using ab initio studies of a series of (Si O2) p and (Te O2) p polymer molecules. This comparison showed that these properties are reproducible only in a Te O2 glass simulated as an ensemble of chainlike (Te O2) p polymer molecules with p→∞, which was interpreted as evidence for the essential nonlocality of the electronic polarizability mechanism in that glass. The relevant model calculations showed the reasonableness of this hypothesis, which was subsequently used to explain the influence of modifier content on the nonlinear optic susceptibility of the tellurite glasses.

AB - To gain a better insight into the origin of the outstanding nonlinear optic susceptibilities of Te O2 -based glasses whose numerical characteristics are almost two orders of magnitude higher than those of Si O2 -based glasses, a comparative computer simulation of their dielectric properties was performed using ab initio studies of a series of (Si O2) p and (Te O2) p polymer molecules. This comparison showed that these properties are reproducible only in a Te O2 glass simulated as an ensemble of chainlike (Te O2) p polymer molecules with p→∞, which was interpreted as evidence for the essential nonlocality of the electronic polarizability mechanism in that glass. The relevant model calculations showed the reasonableness of this hypothesis, which was subsequently used to explain the influence of modifier content on the nonlinear optic susceptibility of the tellurite glasses.

UR - http://www.scopus.com/inward/record.url?scp=33646260712&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.73.134206

DO - 10.1103/PhysRevB.73.134206

M3 - Article

AN - SCOPUS:33646260712

VL - 73

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 13

M1 - 134206

ER -

ID: 73027687