Accurate X-ray Diffraction Studies of KTiOPO4 Single Crystals Doped with Niobiumстатья
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Дата последнего поиска статьи во внешних источниках: 18 апреля 2017 г.
Аннотация:Single crystals of potassium titanyl phosphate doped with 4% of niobium (KTP: 4% Nb) and 6% of niobium (KTP: 6% Nb) are studied by accurate X-ray diffraction at room temperature. The niobium atoms are localized near the Ti1 and Ti2 atomic positions, and their positions are for the first time refined independent of the titanium atomic positions. Maps of difference electron density in the vicinity of K1 and K2 atomic positions are analyzed. It is found that in the structure of crystal KTP: 4% Nb, additional positions of K atoms are located farther from the main positions and from each other than in KTP and KTP: 6% Nb crystals. The nonuniform distribution of electron density found in the channels of the KTP: 4% Nb structure is responsible for similar to 20% increase in the signal of second harmonic generation.