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Analytical and numerical modeling of optical second harmonic generation in anisotropic crystals using #SHAARP package

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摘要 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.
出处 《npj Computational Materials》 SCIE EI CSCD 2022年第1期2343-2354,共12页 计算材料学(英文)
基金 This development of the software was supported as part of the Computational Materials Sciences Program funded by the U.S.Department of Energy,Office of Science,Basic Energy Sciences,under Award No.DE-SC0020145 R.Z.,B.W.,J.-J.W.,L.-Q.C.,and V.G.were supported by the U.S.Department of Energy,Office of Science,Basic Energy Sciences,under Award No.DE-SC0020145 J.H.acknowledges support from National Science Foundation under NSF DMR-2210933 L.W.was supported by NSF Research Experiences for Undergraduates(REU),DMR 185-1987 Part of this work was performed under the auspices of the U.S.Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344(B.W.).
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