Alkali metal–alkaline earth metal borate crystal LiBa₃(OH)(B₉O₁₆)[B(OH)₄] as a new deep-UV nonlinear optical material
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Wu, Chao; Song, Junling; Li, Longhua; Humphrey, Mark; Zhang, Chi
Description
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⁻...[Show more]
dc.contributor.author | Wu, Chao | |
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dc.contributor.author | Song, Junling | |
dc.contributor.author | Li, Longhua | |
dc.contributor.author | Humphrey, Mark | |
dc.contributor.author | Zhang, Chi | |
dc.date.accessioned | 2018-10-10T03:23:00Z | |
dc.identifier.issn | 2050-7526 | |
dc.identifier.uri | http://hdl.handle.net/1885/148200 | |
dc.description.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. | |
dc.description.sponsorship | This research was financially supported by the National Natural Science Foundation of China (No. 51432006, 50925207, 51172100 and 21403232), the Ministry of Science and Technology of China (No. 2011DFG52970), the Ministry of Education of China for the Changjiang Innovation Research Team (No. IRT13R24), the Ministry of Education and the State Administration of Foreign Experts Affairs for the 111 Project (No. B13025). M. G. H. thanks the Australian Research Council for support. | |
dc.format.mimetype | application/pdf | |
dc.publisher | Royal Society of Chemistry | |
dc.source | Journal of Materials Chemistry C | |
dc.title | Alkali metal–alkaline earth metal borate crystal LiBa₃(OH)(B₉O₁₆)[B(OH)₄] as a new deep-UV nonlinear optical material | |
dc.type | Journal article | |
local.identifier.citationvolume | 4 | |
dc.date.issued | 2016 | |
local.publisher.url | http://www.rsc.org/ | |
local.type.status | Submitted Version | |
local.contributor.affiliation | Humphrey, M., Research School of Chemistry, The Australian National University | |
local.bibliographicCitation.issue | 35 | |
local.bibliographicCitation.startpage | 8189 | |
local.bibliographicCitation.lastpage | 8196 | |
local.identifier.doi | 10.1039/C6TC02306A | |
dcterms.accessRights | Open Access | |
dc.provenance | https://v2.sherpa.ac.uk/id/publication/25610..."The Submitted Version can be archived in Institutional Repository" from SHERPA/RoMEO site (as at 7/12/2020). | |
Collections | ANU Research Publications |
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