期刊
NPJ COMPUTATIONAL MATERIALS
卷 8, 期 1, 页码 -出版社
NATURE PORTFOLIO
DOI: 10.1038/s41524-022-00930-4
关键词
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资金
- Computational Materials Sciences Program - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0020145]
- U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0020145]
- National Science Foundation [NSF DMR-2210933]
- NSF Research Experiences for Undergraduates (REU) [DMR 185-1987]
- U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]
Electric-dipole optical second harmonic generation (SHG) is a sensitive probe for detecting broken inversion symmetry and local polar order. We have developed the SHAARP.si package for accurate modeling of SHG polarimetry measurements.
Electric-dipole optical second harmonic generation (SHG) is a second-order nonlinear process that is widely used as a sensitive probe to detect broken inversion symmetry and local polar order. Analytical modeling of the SHG polarimetry of a nonlinear optical material is essential to extract its point group symmetry and the absolute nonlinear susceptibilities. Current literature on SHG analysis involves numerous approximations and a wide range of (in)accuracies. We have developed an open-source package called the Second Harmonic Analysis of Anisotropic Rotational Polarimetry (#SHAARP.si) which derives analytical and numerical solutions of reflection SHG polarimetry from a single interface (.si) for bulk homogeneous crystals with arbitrary symmetry group, arbitrary crystal orientation, complex and anisotropic linear dielectric tensor with frequency dispersion, a general SHG tensor and arbitrary light polarization. #SHAARP.si enables accurate modeling of polarimetry measurements in reflection geometry from highly absorbing crystals or wedge-shaped transparent crystals. The package is extendable to multiple interfaces.
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