Theoretical study on the optical properties of polyvinylidene fluoride
crystal

doi:10.1088/0953-8984/15/22/314

Theoretical study on the optical properties of polyvinylidene fluoride crystal

Chun-gang Duan et al 2003 J. Phys.: Condens. Matter 15 3805-3811 doi: 10.1088/0953-8984/15/22/314

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Chun-gang Duan¹, W N Mei¹, Wei-Guo Yin¹, Jianjun Liu², J R Hardy², Mengjun Bai² and Stephen Ducharme²
¹ Department of Physics, University of Nebraska at Omaha, Omaha, NE 68182-0266, USA
² Department of Physics and Center for Materials Research and Analysis, University of Nebraska at Lincoln, Lincoln, NE 68588, USA
E-mail: dcg@cosmos.unomaha.edu (Chun-gang Duan)

Abstract. We report our first-principles studies on the linear and non-linear optical properties of ferroelectric polyvinylidene fluoride crystal. Calculated values of the refractive indices agree well with experiments. As regards the second-harmonic-generation coefficients, theoretical values are larger than experimental ones. Possible reasons for the discrepancy are discussed.

Print publication: Issue 22 (11 June 2003)
Received 6 March 2003, in final form 22 April 2003
Published 23 May 2003

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Theoretical study on the optical properties of polyvinylidene fluoride crystal

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