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在Ba_2B_5O_9Cl-NaF体系中,采用高温溶液法生长出了尺寸为7mm×5mm×3mm的透明Na_3Ba_2B_6O_(12)F晶体,并对其进行了X射线衍射(XRD)图谱和红外光谱分析;晶体的电子能带结构和态密度的理论计算结果说明Na_3Ba_2B_6O_(12)F化合物的间接带隙大小为4.646eV,吸收系数计算结果表明其紫外吸收边为4.654eV。
In Ba_2B_5O_9Cl-NaF system, transparent Na_3Ba_2B_6O_ (12) F crystal with a size of 7mm × 5mm × 3mm was grown by high temperature solution method and characterized by X-ray diffraction (XRD) and infrared spectroscopy The theoretical calculation of band structure and density shows that the indirect band gap of Na 3 B 2 B 6 O 12 F is 4.646eV, and the calculated absorption coefficient shows that the UV absorption edge is 4.654eV.