We present a band structure approach with a molecular dynamics cluster optimization which accounts for the various structural modifications related to the non-stoichiometry of LiNbO 3 crystals. The variation of the optical properties with the deviation from the stoichiometric composition can be unde
Influence of Non-Stoichiometric Defects on Electrooptics in KNbO3
β Scribed by I.V. Kityk; M. Makowska-Janusik; A. Majchrowski
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 218 KB
- Volume
- 221
- Category
- Article
- ISSN
- 0370-1972
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β¦ Synopsis
We present a band energy approach for a total energy cluster optimization which accounts for the various structural modifications caused by the non-stoichiometry of KNbO 3 crystals. The variation of the optical properties with the deviation from the stoichiometric composition can be understood within this approach. The special role of the electronΒ±phonon contributions to the electrooptic coefficient is shown. In particular, model calculations yield a large dependence of the electrooptic coefficient r 22 on the crystal composition, in agreement with the experimental data. The observed experimental minimum of the linear electrooptic coefficient r 22 in the plot versus degree of nonstoichiometry is interpreted as being due to a diminishing in the non-centrosymmetry of the electrostatic potential around [NbO 6 ] clusters.
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