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Mechanism for linear and nonlinear optical effects in monoclinic bismuth borate (BiB3O6) crystal (2001)

Lin, Zheshuai

[S.l.] : American Institute of Physics (AIP)

Journal of Applied Physics 90 (2001), S. 5585-5590

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ISSN: 1089-7550

Source: AIP Digital Archive

Topics: Physics

Notes: Electronic structure calculations of BiB3O6 crystal from first principles are performed based on a plane-wave pseudopotential method. The linear refractive indices and the static second-harmonic generation (SHG) coefficients are also calculated by the SHG formula improved by our group. The calculated values are in good agreement with the experimental values. A real-space atom-cutting method is adopted to analyze the respective contributions of the cation and anionic groups to the optical response. The results show that the contribution of the (BiO4)5− anionic group to the SHG coefficients is more pronounced than that of the (BO3)3− and (BO4)5− groups. © 2001 American Institute of Physics.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.1413711

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