Wendan Cheng, Chen-Sheng Lin, Hao Zhang, Guo-Liang Chai,
https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.7b10972?journalCode=jpccck
We develop a new method to calculate nonlinear optical susceptibility, and give a definition of the extended figure of merit (EFOM) contributing from optical susceptibility, refractive index and absorptions to evaluate the material intrinsic property. The calculated phonon frequency determines the infrared absorption coefficient and transparent cutoff edge. We calculate the conversion efficiencies of terahertz source generating from chalcogenides PbM6Te10 (M = Ga, In), based on difference frequency generation of optical process in term of the EFOM and experiment parameters. The calculated terahertz light conversion efficiencies of PbGa6Te10 and PbIn6Te10 are in the order of 10-3 to 10-2 at low side of THz wavelengths, and the conversion efficiency of PnIn6Te10 is larger than that of PbGa6Te10 at the same conditions. A small terahertz wavelength and absorption coefficient, and large nonlinear susceptibility, i.e. a large EFOM will result in a large conversion efficiency. These studies give an indication that the chalcogenides with heavy element composites are the desired candidates as terahertz source generation. The present work will give contributions to evaluate and search new NLO materials as terahertz source generation.
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