Title: Phonon modes of organic electro-optic molecular crystals for terahertz photonics
Authors : Kim, Jongtaek
Kwon, O-Pil
Brunner, Fabian D. J.
Jazbinsek, Mojca
Lee, Seung-Heon
Günter, Peter
Published in : The journal of physical chemistry. C
Volume(Issue) : 119
Issue : 18
Pages : 10031
Pages to: 10039
Publisher / Ed. Institution : American Chemical Society
Issue Date: 2015
License (according to publishing contract) : Licence according to publishing contract
Type of review: Peer review (Publication)
Language : English
Subject (DDC) : 540: Chemistry
621.3: Electrical engineering and electronics
Abstract: We investigate theoretically and experimentally the phonon modes of organic electro-optic crystals for THz-wave photonics. THz phonon modes significantly influence the characteristics of THz-wave generation and detection through the THz absorption and refractive-index dispersion. For a model as THz generation material, electro-optic PNP (2-(N-prolinol)-5-nitropyridine) molecular crystal containing a relatively small numbers of atoms in the unit cell is chosen for phonon-mode calculation. THz phonon modes with their frequencies and intensities are calculated by periodic density functional theory, and the resulting spectrum exhibits a good agreement with the experimental absorption spectrum measured by THz time-domain spectroscopy. THz-wave generation experiment is performed with PNP as THz generator and the organic electro-optic OH1 (2-(3-(4-hydroxystyryl)-5,5-dimethylcyclohex-2-enylidene)malononitrile) crystal as THz detector. Considering the phase matching condition and THz absorption, which are both influenced by the THz phonon modes of THz generation and detection materials, the calculated THz generation spectrum also matches well with the experimental THz spectrum obtained by optical rectification at the pump wavelength of 1300 nm. Therefore, the phonon mode identification is very important for optimizing and designing new THz source and detection materials as well as for THz spectroscopy.
Departement: School of Engineering
Organisational Unit: Institute of Computational Physics (ICP)
Publication type: Article in scientific Journal
DOI : 10.1021/acs.jpcc.5b02445
ISSN: 1932-7447
1932-7455
URI: https://digitalcollection.zhaw.ch/handle/11475/10791
Appears in Collections:Publikationen School of Engineering

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