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Bond-orbital model for second-order susceptibilities

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3 Author(s)
M. Choy ; Stanford University, Stanford, CA, USA ; S. Ciraci ; R. Byer

The bond-orbital model (BOM) for tetrahedral compounds is used self-consistently to calculate the second-order susceptibility. No adjustable parameters are used and agreement with experiment is good. The origin of the nonlinearity arises from a charge transfer as a result of the asymmetric polar energy between the anion and the cation. The model correctly predicts an optimum polarity to maximize second-order susceptibilities.

Published in:

IEEE Journal of Quantum Electronics  (Volume:11 ,  Issue: 1 )