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arXiv · 1610.02654

Nonlinear optical properties of undoped and doped with Zr and Nb KTiOPO4 crystals

A. I. Lebedev
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Abstract

The structure of the ferroelectric phase of undoped KTiOPO$_4$ and its solid solutions with zirconium and niobium is studied from first principles within the density functional theory. The second-order nonlinear susceptibility tensor and the spontaneous polarization of these materials are obtained. It is shown that an improvement in nonlinear optical properties of KTiOPO$_4$ upon its doping with Zr and Nb cannot be explained by a systematic change in the composition of crystals and is apparently associated with the occurrence of defects. Possible structures of such defects are discussed.

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A. I. Lebedev. 2016-10-09. Nonlinear optical properties of undoped and doped with Zr and Nb KTiOPO4 crystals. https://doi.org/10.3103/s1062873816090276

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