Pb2B5O9I: an iodide borate with strong second harmonic generation.
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.
Huang
Yi-Zhi
YZ
Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, PR China.
Wu
Li-Ming
LM
Wu
Xin-Tao
XT
Li
Long-Hua
LH
Chen
Ling
L
Zhang
Yong-Fan
YF