Data Mining for Terahertz Generation Crystals

Non-centrosymmetric molecular crystals are effective in nonlinear optical applications, such as second-harmonic generation, and optical rectification, due to low dielectric constants and high molecular hyperpolarizabilities. We designed a combined method of data mining for non-centrosymmetric struct...

Full description

Saved in:
Bibliographic Details
Published in2022 47th International Conference on Infrared, Millimeter and Terahertz Waves (IRMMW-THz) pp. 1 - 2
Main Authors Ho, Enoch Sin-Hang, Valdivia-Berroeta, Gabriel A., Zaccardi, Zachary B., Pettit, Sydney K. F., Palmer, Bruce Wayne, Lutz, Matthew J., Rader, Claire, Hunter, Brittan P., Green, Natalie K., Barlow, Connor, Wayment, Coriantumr Z., Harmon, Daisy J., Petersen, Paige, Smith, Stacey J., Michaelis, David J., Johnson, Jeremy A.
Format Conference Proceeding
LanguageEnglish
Published IEEE 28.08.2022
Subjects
Crystals
Data mining
Density functional theory
Dielectric constant
Frequency conversion
Optical design
Online AccessGet full text

Cover

More Information
Summary:Non-centrosymmetric molecular crystals are effective in nonlinear optical applications, such as second-harmonic generation, and optical rectification, due to low dielectric constants and high molecular hyperpolarizabilities. We designed a combined method of data mining for non-centrosymmetric structure from the Cambridge Structural Database (CSD) and performing density functional theory calculations to discover new organic nonlinear optical crystals that generate intense terahertz (THz) radiation. To confirm our combination approach, we recrystallized and tested the newly discovered organic nonlinear materials. The results of THz experiments showed the THz generation capabilities are comparable to state-to-art THz generation crystals (DAST, OH-1 and BNA).
ISSN:2162-2035
DOI:10.1109/IRMMW-THz50927.2022.9896114