Journal
CHEMICAL COMMUNICATIONS
Volume 49, Issue 85, Pages 9965-9967Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cc45747h
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Funding
- National Natural Science Foundation of China [21231006, 21001107, 21203197, 91222108]
- NSF of Fujian Province [2011J05037]
- Key Laboratory of Optoelectronic Materials Chemistry and Physics
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The replacement of NbO6 octahedra in Pb2NbO2(SeO3)(2)Cl by the TiO5F octahedra in Pb2TiOF(SeO3)(2)Cl induced a very large SHG enhancement from 2.3 x to 9.6 x KDP (KH2PO4), and both materials are type-I phase matchable. Theoretical calculations based on DFT methods indicate that the inclusion of F- anions in the d(0)-TM octahedral coordination unit has a great impact on the band structure and the SHG enhancement of the material.
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