| Literature DB >> 20738133 |
Yi-Zhi Huang1, Li-Ming Wu, Xin-Tao Wu, Long-Hua Li, Ling Chen, Yong-Fan Zhang.
Abstract
The combination of lone-pair effects on Pb(2+) cations and the smaller electronegativity of I(-) anions into the pentaborate framework generates a phase-matchable material, Pb(2)B(5)O(9)I, with the largest powder SHG response among borates, about 13.5 times that of KDP (KH(2)PO(4)), and transparency over the near-UV to middle-IR region. DFT calculations on electronic structure and cutoff-energy-dependent SHG coefficients confirm these origins.Entities:
Year: 2010 PMID： 20738133 DOI： 10.1021/ja106066k
Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419