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

37 Citations (Scopus)

Abstract

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
Volume2
Issue number9
DOIs
Publication statusPublished - Mar 7 2014

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Electronegativity
Borates
Harmonic generation
Birefringence
Fluorides
Transparency
Electronic structure
Anions
Cations
Negative ions
Lead
Positive ions
Crystals

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Chemistry

Cite this

Pb3B6O11F2 : The first non-centrosymmetric lead borate fluoride with a large second harmonic generation response. / Li, Hongyi; Wu, Hongping; Su, Xin; Yu, Hongwei; Pan, Shilie; Yang, Zhihua; Lu, Yi; Han, Jian; Poeppelmeier, Kenneth R.

In: Journal of Materials Chemistry C, Vol. 2, No. 9, 07.03.2014, p. 1704-1710.

Research output: Contribution to journalArticle

Li, Hongyi ; Wu, Hongping ; Su, Xin ; Yu, Hongwei ; Pan, Shilie ; Yang, Zhihua ; Lu, Yi ; Han, Jian ; Poeppelmeier, Kenneth R. / Pb3B6O11F2 : The first non-centrosymmetric lead borate fluoride with a large second harmonic generation response. In: Journal of Materials Chemistry C. 2014 ; Vol. 2, No. 9. pp. 1704-1710.
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AU - Lu, Yi

AU - Han, Jian

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