Pb3B6O11F2: The first non-centrosymmetric lead borate fluoride with a large second harmonic generation response

Hongyi Li, Hongping Wu, Xin Su, Hongwei Yu, Shilie Pan, Zhihua Yang, Yi Lu, Jian Han, Kenneth R. Poeppelmeier

Research output: Contribution to journalArticle

38 Citations (Scopus)


The introduction of Pb2+ cations with the lone pair effect and the largest electronegativity of F- anions successfully results in a new non-centrosymmetric lead borate fluoride, Pb3B6O 11F2, which possesses a large SHG response about four times that of KH2PO4 (KDP) and is type-I phase matchable. The structure is built from a 3-dimensional B-O network composed of hexaborate B6O14 groups and novel [FPb3] layers. First-principles electronic structure calculations show that the calculated birefringence of Pb3B6O11F 2 is about 0.07 in the visible region. Based on the measurement of the UV-Vis-NIR diffuse-reflectance spectrum, it exhibits a wide transparency range with a short UV cut-off edge at about 240 nm. All these properties indicate that Pb3B6O11F2 is a promising nonlinear optical crystal in the UV region.

Original languageEnglish
Pages (from-to)1704-1710
Number of pages7
JournalJournal of Materials Chemistry C
Issue number9
Publication statusPublished - Mar 7 2014


ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Chemistry

Cite this