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Alkali metal–alkaline earth metal borate crystal LiBa3(OH)(B9O16)[B(OH)4] as a new deep-UV nonlinear optical material
| Content Provider | Semantic Scholar |
|---|---|
| Author | Wu, Chao Song, Jun-Ling Li, Longhua Humphrey, Mark G. Zhang, Chong |
| Copyright Year | 2016 |
| Abstract | A new noncentrosymmetric alkali metal–alkaline earth metal borate with the formula LiBa3(OH)(B9O16)[B(OH)4] has been synthesized using a convenient hydrothermal method. The structure features a three-dimensional zeolite-like framework and consists of a [B9O19(OH)]12− primary building unit with 6-membered-ring channels along the c-axis. The Ba dications and [B(OH)4]− anions are encapsulated in the 6-membered-ring channels, while the Li cations are located between two adjacent [B9O19(OH)]12− clusters. Second-harmonic generation (SHG) measurements show that LiBa3(OH)(B9O16)[B(OH)4] is type-I phase-matching, with SHG response ca. 1.2 times that of KH2PO4. In addition, it exhibits a wide transparency range with a short UV cut-off edge (<200 nm), suggesting that LiBa3(OH)(B9O16)[B(OH)4] is a potential deep-UV nonlinear optical material. Density functional theory calculations were employed to rationalize the band structure and density of states as well as the electron density. |
| Starting Page | 8189 |
| Ending Page | 8196 |
| Page Count | 8 |
| File Format | PDF HTM / HTML |
| DOI | 10.1039/C6TC02306A |
| Volume Number | 4 |
| Alternate Webpage(s) | http://www.rsc.org/suppdata/c6/tc/c6tc02306a/c6tc02306a1.pdf |
| Alternate Webpage(s) | https://doi.org/10.1039/C6TC02306A |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
