Designing a deep-ultraviolet nonlinear optical material with a large second harmonic generation response

Hongping Wu, Hongwei Yu, Zhihua Yang, Xueling Hou, Xin Su, Shilie Pan*, Kenneth R. Poeppelmeier, James M. Rondinelli

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

506 Scopus citations


The generation of intense coherent deep-UV light from nonlinear optical materials is crucial to applications ranging from semiconductor photolithography and laser micromachining to photochemical synthesis. However, few materials with large second harmonic generation (SHG) and a short UV-cutoff edge are effective down to 200 nm. A notable exception is KBe2BO 3F2, which is obtained from a solid-state reaction of highly toxic beryllium oxide powders. We designed and synthesized a benign polar material, Ba4B11O20F, that satisfies these requirements and exhibits the largest SHG response in known borates containing neither lone-pair-active anions nor second-order Jahn-Teller-active transition metals. We developed a microscopic model to explain the enhancement, which is unexpected on the basis of conventional anionic group theory arguments. Crystal engineering of atomic displacements along the polar axis, which are difficult to attribute to or identify within unique anionic moieties, and greater cation polarizabilities are critical to the design of next-generation SHG materials.

Original languageEnglish (US)
Pages (from-to)4215-4218
Number of pages4
JournalJournal of the American Chemical Society
Issue number11
StatePublished - Mar 20 2013

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry


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