Structural reasons for the nonlinear optical properties of KTi0.96Zr0.04OPO4 single crystalsстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:This paper reports on the results of the precision X-ray structural investigations of KTi0.96Zr0.04OPO4 single crystals at room temperature. It is established that the incorporation of zirconium atoms into the structure of KTiOPO4 (KTP) crystals does not lead to substantial changes in the framework structure and results only in an insignificant decrease in the scatter of the distances in the PO4 tetrahedra and the formation of more symmetric (TiZr)O6 octahedra as compared to the TiO6 octahedra. However, the incorporation of zirconium atoms into the KTP structure is accompanied by the redistribution of the electron density in the crystal as a whole, so that the electron density increases in the region of the positions occupied by the potassium atoms. This changes the nonlinear optical properties of the given series of crystals, which are estimated from the intensity of the second harmonic generation signals.