Calculations on nonlinear second-order optical susceptibility of substituted fullerenes C 59 X(X = B,N)
作者： J. Jiang , J. Dong , Q. Xu , D. Y. Xing
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摘要: The second-order nonlinear susceptibility β of substituted fullerenes C59X (X = B, N) is calculated by using the Su-Schrieffer-Heeger (SSH) model and sumover-states (SOS) method. Obtained results indicate that doped balls have larger values than C60/N, N-dicthylaniline pure C60. large nonlinearities stems from change in dipole moment accompanied intramolecule charge transfer transitions relatively low-lying excitation energies.
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