KPb2(PO3)(5): a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge
Abudoureheman, M (Abudoureheman, Maierhaba); Han, SJ (Han, Shujuan); Lei, BH (Lei, Bing-Hua); Yang, ZH (Yang, Zhihua); Long, XF (Long, Xifa); Pan, SL (Pan, Shilie)
2016
Source PublicationJOURNAL OF MATERIALS CHEMISTRY C
ISSN2050-7526
Volume4Issue:45Pages:10630-10637
Abstract

It is a challenge to explore deep-ultraviolet (DUV) nonlinear optical (NLO) crystals in a Pb-containing system due to the red-shift caused by the Pb atom. Here, three new NLO crystals APb(2)(PO3)(5) (A = K, Rb and Cs) were synthesized. Their single-crystal X-ray diffraction patterns indicate that they are isostructural and crystallize in the asymmetric space group of Pn (No. 7). Interestingly, KPb2(PO3)(5) displays moderate powder second harmonic generation (SHG) intensities (0.5 x KDP) in type I phase matching behaviors with a short UV cut-off edge of 177 nm, which is the shortest UV cut-off edge among Pb-containing NLO crystals. To better understand the blue-shift of the band gap of KPb2(PO3)(5), the theoretical calculations by density functional theory were done. In addition, RbPb2(PO3)(5) shows a SHG response of 0.3 x KDP and is phase matchable. According to first-principles calculations, compared with RbBa2(PO3)(5), KPb2(PO3)(5) has a noticeable enhancement in birefringence (0.021 and 0.009 at 1064 nm for KPb2(PO3)(5) and RbBa2(PO3)(5), respectively). Furthermore, the relationship between its structure and NLO properties was also discussed by calculation of dipole moments.

DOI10.1039/c6tc03424a
Indexed BySCI
WOS IDWOS:000388987900007
Citation statistics
Cited Times:31[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4917
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Corresponding AuthorHan, SJ (Han, Shujuan); Long, XF (Long, Xifa); Pan, SL (Pan, Shilie)
Affiliation1.Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, South Bejing Rd, Urumqi 830011, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Abudoureheman, M ,Han, SJ ,Lei, BH ,et al. KPb2(PO3)(5): a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge[J]. JOURNAL OF MATERIALS CHEMISTRY C,2016,4(45):10630-10637.
APA Abudoureheman, M ,Han, SJ ,Lei, BH ,Yang, ZH ,Long, XF ,&Pan, SL .(2016).KPb2(PO3)(5): a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge.JOURNAL OF MATERIALS CHEMISTRY C,4(45),10630-10637.
MLA Abudoureheman, M ,et al."KPb2(PO3)(5): a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge".JOURNAL OF MATERIALS CHEMISTRY C 4.45(2016):10630-10637.
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