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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Cation movement and phase transitions in KTP isostructures; X-ray study of sodium-doped KTP at 10.5 K
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Cation movement and phase transitions in KTP isostructures; X-ray study of sodium-doped KTP at 10.5 K

机译：KTP同质结构中的阳离子运动和相变; 10.5 K下钠掺杂KTP的X射线研究

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摘要

An accurate structure model of sodium-doped potassium titanyl phosphate, (Na0.114K0.886) K(TiO)(2)(PO4)(2), has been determined at 10.5 K by single-crystal X-ray diffraction. In addition to the low-temperature data, X-ray intensities have been collected at room temperature. When the temperature was decreased from room temperature to 10.5 K, both potassium cations moved 0.033 (2) Angstrom along the c-axis, i.e. in the polar direction within the rigid Ti-O-P network. This alkaline metal ion displacement can be related to the Abrahams-Jamieson-Kurtz T-C criteria for oxygen framework ferroelectrics. Potassium titanyl phosphate (KTP) is a well known material for second harmonic generation (SHG), and the influence of sodium dopant on the TiO6 octahedral geometry and SHG is discussed. The material studied crystallizes in the space group Pna2(1) with Z = 4, a = 12.7919 (5), b = 6.3798 (4), c = 10.5880 (7) Angstrom, V = 864.08 (9) Angstrom(3), T = 10.5 (3) K and R = 0.023. [References: 39]
机译：通过单晶X射线衍射在10.5 K下确定了钠掺杂的钛氧基磷酸钾（Na0.114K0.886）K（TiO）（2）（PO4）（2）的精确结构模型。除低温数据外，还在室温下收集了X射线强度。当温度从室温降至10.5 K时，两种钾阳离子都沿c轴（即在刚性Ti-O-P网络内的极性方向）移动了0.033（2）埃。这种碱金属离子的位移可能与氧骨架铁电的Abrahams-Jamieson-Kurtz T-C标准有关。磷酸氧钛钾（KTP）是用于二次谐波（SHG）的众所周知的材料，并讨论了钠掺杂剂对TiO6八面体几何形状和SHG的影响。研究的材料在Z = 4，a = 12.7919（5），b = 6.3798（4），c = 10.5880（7）埃，V = 864.08（9）埃的空间群Pna2（1）中结晶， T ＝ 10.5（3）K，R ＝ 0.023。 [参考：39]

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