Nonlinear crystals for broadband terahertz (THz) generation are essential for a wide range of THz applications. Current state-of-the-art organic THz generation crystals are limited in number, with two important examples being DAST and HMQ-TMS. We present a method for novel crystal development. Based on quantum mechanical calculations of both molecular gas-phase geometries and hyperpolarizabilities, we filter candidate chromophores such that the lengthy synthesis and crystallization process can be more efficiently used. We developed three organic salts for THz generation. Computations in tandem with XRD characterization and analysis reveals a new THz generation crystal with a superior order parameter compared to DAST, and a larger molecular hyperpolarizability than both DAST and HMQ-TMS. Finally, we have characterized the optical properties and demonstrate THz generation with the three new crystals.

Organic crystals for THz generation

255th National Meeting (2018)

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