Modelling of dielectric properties of non-linear optic materials based on linear molecules

V. Yu Bulatov, M. B. Smirnov, S. V. Sukhomlinov

Research output


Dependence of polarizability (LP) and hyperpolarizability (HP) of linear oligomers on the number of monomers in the chain is analyzed. A critical review of previous studies revealed two main issues. Firstly, the specific (per one chain unit) values of both LP and HP monotonously increase along with the chain length, and secondly, both dependencies approach the limit values in sufficiently long chains. A model describing such behavior is proposed. The model parameters are LP and HP of an isolated chain unit and a cross-term, which couples the dipole moments of neighboring units. These parameters have a clear physical meaning. It is shown that the theoretical predictions provided by the model agree well both with the results of accurate quantum-mechanical calculations and with experimental data.

Original languageEnglish
Article number012029
JournalJournal of Physics: Conference Series
Issue number1
Publication statusPublished - 25 Mar 2020
Event21st Russian Youth Conference on Physics of Semiconductors and Nanostructures, Opto- and Nanoelectronics, RYCPS 2019 - St. Petersburg
Duration: 25 Nov 201929 Nov 2019

Scopus subject areas

  • Physics and Astronomy(all)

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