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A new langbeinite‐type phosphate K 2 GdHf(PO 4 ) 3 : synthesis, crystal structure, band structure and luminescence properties
Author(s) -
Nan Hua,
Chen Li,
Zhang Rui-Juan,
Zhao Dan
Publication year - 2020
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229620009857
Subject(s) - chromaticity , phosphor , luminescence , gadolinium , band gap , crystal structure , chemistry , excitation , doping , materials science , analytical chemistry (journal) , crystallography , optoelectronics , optics , physics , organic chemistry , chromatography , electrical engineering , engineering
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, K 2 GdHf(PO 4 ) 3 [dipotassium gadolinium hafnium tris(phosphate)], and its structure as determined by single‐crystal X‐ray diffraction. Theoretical studies reveal that K 2 GdHf(PO 4 ) 3 is an insulator with a direct band gap of 4.600 eV and that the optical transition originates from the O‐2 p →Hf‐5 d transition. A Ce 3+ ‐doped phosphor, K 2 Gd 0.99 Ce 0.01 Hf(PO 4 ) 3 , was prepared and its luminescence properties studied. With 324 nm light excitation, a blue emission band was observed due to the 5 d 1 →4 f 1 transition of Ce 3+ . 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 K 2 Gd 0.99 Ce 0.01 Hf(PO 4 ) 3 can be used as a good blue phosphor for three‐colour white‐light‐emitting diodes (WLEDs).