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A new langbeinite-type phosphate K2GdHf(PO4)3: synthesis, crystal structure, band structure and luminescence properties.
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2020-07-22 , DOI: 10.1107/s2053229620009857 Hua Nan 1 , Li Chen 2 , Rui Juan Zhang 2 , Dan Zhao 3
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2020-07-22 , DOI: 10.1107/s2053229620009857 Hua Nan 1 , Li Chen 2 , Rui Juan Zhang 2 , Dan Zhao 3
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Langbeinite‐type compounds are a large family that include phosphates, sulfates and arsenates, and which are accompanied by interesting physical properties. This work reports a new disordered langbeinite‐type compound, K2GdHf(PO4)3 [dipotassium gadolinium hafnium tris(phosphate)], and its structure as determined by single‐crystal X‐ray diffraction. Theoretical studies reveal that K2GdHf(PO4)3 is an insulator with a direct band gap of 4.600 eV and that the optical transition originates from the O‐2p→Hf‐5d transition. A Ce3+‐doped phosphor, K2Gd0.99Ce0.01Hf(PO4)3, was prepared and its luminescence properties studied. With 324 nm light excitation, a blue emission band was observed due to the 5d1→4f1 transition of Ce3+. The average luminescence lifetime was calculated to be 5.437 µs and the CIE chromaticity coordinates were (0.162, 0.035). One may expect that K2Gd0.99Ce0.01Hf(PO4)3 can be used as a good blue phosphor for three‐colour white‐light‐emitting diodes (WLEDs).
中文翻译：
一种新型的贝朗石型磷酸盐K2GdHf（PO4）3：合成，晶体结构，能带结构和发光性能。
朗贝石型化合物是一个大家族，包括磷酸盐，硫酸盐和砷酸盐，并伴随着令人感兴趣的物理性质。这项工作报告了一种新的无序贝氏体型化合物K 2 GdHf（PO 4）3 [双potpot三（磷酸盐）]，其结构由单晶X射线衍射确定。理论研究表明，K 2 GdHf（PO 4）3是带隙为4.600 eV的绝缘体，光学跃迁起源于O-2 p →Hf- 5d跃迁。掺Ce 3+的荧光粉，K 2 Gd 0.99 Ce制备了0.01 Hf（PO 4）3，并研究了其发光性能。在324 nm的光激发下，由于Ce 3+的5 d 1 →4 f 1跃迁，观察到蓝色发射带。计算出平均发光寿命为5.437μs，CIE色度坐标为（0.162，0.035）。人们可能希望K 2 Gd 0.99 Ce 0.01 Hf（PO 4）3可以用作三色白色发光二极管（WLED）的良好蓝色荧光粉。
更新日期：2020-07-22
中文翻译：
一种新型的贝朗石型磷酸盐K2GdHf（PO4）3：合成，晶体结构，能带结构和发光性能。
朗贝石型化合物是一个大家族，包括磷酸盐，硫酸盐和砷酸盐，并伴随着令人感兴趣的物理性质。这项工作报告了一种新的无序贝氏体型化合物K 2 GdHf（PO 4）3 [双potpot三（磷酸盐）]，其结构由单晶X射线衍射确定。理论研究表明，K 2 GdHf（PO 4）3是带隙为4.600 eV的绝缘体，光学跃迁起源于O-2 p →Hf- 5d跃迁。掺Ce 3+的荧光粉，K 2 Gd 0.99 Ce制备了0.01 Hf（PO 4）3，并研究了其发光性能。在324 nm的光激发下，由于Ce 3+的5 d 1 →4 f 1跃迁，观察到蓝色发射带。计算出平均发光寿命为5.437μs，CIE色度坐标为（0.162，0.035）。人们可能希望K 2 Gd 0.99 Ce 0.01 Hf（PO 4）3可以用作三色白色发光二极管（WLED）的良好蓝色荧光粉。
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