Molecular orbital approach to the optical nonlinearities of fresnoite-type crystals

Nozomu Uchida; Satoshi Tanaka; Keizo Uematsu; Takumi Fujiwara; Takayuki Komatsu

doi:10.1016/j.jeurceramsoc.2006.04.105

Molecular orbital approach to the optical nonlinearities of fresnoite-type crystals

Nozomu Uchida, Satoshi Tanaka, Keizo Uematsu, Takumi Fujiwara, Takayuki Komatsu

ENG - Applied Physics

Nagaoka University of Technology

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

7 Citations (Scopus)

Abstract

Hyperpolarizability (β) values have been evaluated by means of molecular orbital calculation for the clusters which simulate the fresnoit type crystals, Ba₂TiGe₂O₈(BTG), Ba₂TiSi₂O₈ (BTS), and Sr₂TiSi₂O₈ (STS). The experimental results have suggested that the second order optical nonlinearity of the crystals were strongly affected by the distortion of the crystal structure. In this study, β values were calculated for distorted clusters of BTG, BTS, and STS crystals. The obtained β values increase both with axial (c-axis direction) and equatorial (in c-plane) expansions of the unit cell. Especially, the β value of BTG cluster increased significantly with axial expansion.

Original language	English
Pages (from-to)	531-533
Number of pages	3
Journal	Journal of the European Ceramic Society
Volume	27
Issue number	2-3
DOIs	https://doi.org/10.1016/j.jeurceramsoc.2006.04.105
Publication status	Published - 2007

Keywords

Glass ceramics
Optical nonlinearity

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10.1016/j.jeurceramsoc.2006.04.105

Cite this

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title = "Molecular orbital approach to the optical nonlinearities of fresnoite-type crystals",

abstract = "Hyperpolarizability (β) values have been evaluated by means of molecular orbital calculation for the clusters which simulate the fresnoit type crystals, Ba2TiGe2O8(BTG), Ba2TiSi2O8 (BTS), and Sr2TiSi2O8 (STS). The experimental results have suggested that the second order optical nonlinearity of the crystals were strongly affected by the distortion of the crystal structure. In this study, β values were calculated for distorted clusters of BTG, BTS, and STS crystals. The obtained β values increase both with axial (c-axis direction) and equatorial (in c-plane) expansions of the unit cell. Especially, the β value of BTG cluster increased significantly with axial expansion.",

keywords = "Glass ceramics, Optical nonlinearity",

author = "Nozomu Uchida and Satoshi Tanaka and Keizo Uematsu and Takumi Fujiwara and Takayuki Komatsu",

year = "2007",

doi = "10.1016/j.jeurceramsoc.2006.04.105",

language = "English",

volume = "27",

pages = "531--533",

journal = "Journal of the European Ceramic Society",

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TY - JOUR

T1 - Molecular orbital approach to the optical nonlinearities of fresnoite-type crystals

AU - Uchida, Nozomu

AU - Tanaka, Satoshi

AU - Uematsu, Keizo

AU - Fujiwara, Takumi

AU - Komatsu, Takayuki

PY - 2007

Y1 - 2007

N2 - Hyperpolarizability (β) values have been evaluated by means of molecular orbital calculation for the clusters which simulate the fresnoit type crystals, Ba2TiGe2O8(BTG), Ba2TiSi2O8 (BTS), and Sr2TiSi2O8 (STS). The experimental results have suggested that the second order optical nonlinearity of the crystals were strongly affected by the distortion of the crystal structure. In this study, β values were calculated for distorted clusters of BTG, BTS, and STS crystals. The obtained β values increase both with axial (c-axis direction) and equatorial (in c-plane) expansions of the unit cell. Especially, the β value of BTG cluster increased significantly with axial expansion.

AB - Hyperpolarizability (β) values have been evaluated by means of molecular orbital calculation for the clusters which simulate the fresnoit type crystals, Ba2TiGe2O8(BTG), Ba2TiSi2O8 (BTS), and Sr2TiSi2O8 (STS). The experimental results have suggested that the second order optical nonlinearity of the crystals were strongly affected by the distortion of the crystal structure. In this study, β values were calculated for distorted clusters of BTG, BTS, and STS crystals. The obtained β values increase both with axial (c-axis direction) and equatorial (in c-plane) expansions of the unit cell. Especially, the β value of BTG cluster increased significantly with axial expansion.

KW - Glass ceramics

KW - Optical nonlinearity

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EP - 533

JO - Journal of the European Ceramic Society

JF - Journal of the European Ceramic Society

IS - 2-3

ER -

Molecular orbital approach to the optical nonlinearities of fresnoite-type crystals

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