K2O-P2O5-Ta2O5-MoO3助熔剂体系中复合磷酸钽的合成及结构关系

2012 IEEE International Conference on Oxide Materials for Electronic Engineering (OMEE) Pub Date : 2012-09-01 DOI:10.1109/OMEE.2012.6464783

A. A. Babaryk, I. V. Odynets, V. Baumer, N. Slobodyanik, S. Khainakov, S. Hoffmann

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引用次数: 0

摘要

在K2O-P2O5-Ta2O5-MoO3准四元体系中，采用助熔剂法合成了K2Ta4O11 (I)、K(TaO2)2PO4 (II)和K3Ta5O11(PO4)2 (III)单晶。通过x射线衍射研究发现它们的晶体结构具有紧密的相互关系。实验固态带隙测量显示其半导体性质与DFT计算相证实。(II)和(III)化合物中PO4基团的局部结构用31P MAS NMR进行了探测。

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Synthesis and structural relationship of complex tantalum phosphates in the flux system K2O-P2O5-Ta2O5-MoO3

Single crystals of K2Ta4O11 (I), K(TaO2)2PO4 (II) and K3Ta5O11(PO4)2 (III) were synthesized by flux-aided method in the pseudo-quaternary system K2O-P2O5-Ta2O5-MoO3. Tight interrelation of their crystal structures has been found via X-ray diffraction study. Experimental solid-state band gap measurements revealed its semiconductor nature corroborated with DFT calculations. Local structure of PO4 groups in (II) and (III) compounds was probed with ³¹P MAS NMR spectroscopy.

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2012 IEEE International Conference on Oxide Materials for Electronic Engineering (OMEE)

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