Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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.
в: Physical Review B - Condensed Matter and Materials Physics, Том 73, № 13, 134206, 2006.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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