Journal Article10.1002/ANIE.201700540
Fluorooxoborates: Beryllium-Free Deep-Ultraviolet Nonlinear Optical Materials without Layered Growth.
724
TL;DR: This study provides a feasible way to break down the DUV wall for NLO materials by introducing the (BO3 F)4- , (BO2 F2 )3- , and (BOF3 )2- groups in borates to break through the fixed 3D B-O network that would produce a larger birefringence without layering and simultaneously keep a short cutoff edge down to DUV.
read more
Abstract: Deep-ultraviolet nonlinear optical (DUV NLO) crystals are the key materials to extend the output range of solid-state lasers to below 200 nm. The only practical material KBe2BO3F2 suffers high toxicity through beryllium and strong layered growth. Herein, we propose a beryllium-free material design and synthesis strategy for DUV NLO materials. Introducing the (BO3F)(4-),(BO2F2)(3-), and (BOF3)(2-) groups in borates could break through the fixed 3DB-O network that would produce a larger birefringence without layering and simultaneously keep a short cutoff edge down to DUV. The theoretical and experimental studies on a series of fluorooxoborates confirm this strategy. Li2B6O9F2 is identified as aDUV NLO material with a large second harmonic generation efficiency (0.9 x KDP) and a large predicted birefringence (0.07) without layering. This study provides a feasible way to break down the DUV wall for NLO materials.
read more
Chat with Paper
AI Agents for this Paper
Find similar papers on Google Scholar, PubMed and Arxiv
Write a critical review of this paper
Analyze citations of this paper to find unaddressed research gaps
Citations
Heteroanionic Melilite Oxysulfide: A Promising Infrared Nonlinear Optical Candidate with a Strong Second-Harmonic Generation Response, Sufficient Birefringence, and Wide Bandgap.
Ruiqi Wang,Fei Liang,Xin Liu,Yi Xiao,Qianqian Liu,Xian Zhang,Limin Wu,Ling Chen,Fuqiang Huang +8 more
TL;DR: In this paper , the authors theoretically confirmed that the heteroanionic oxysulfide tetrahedron would produce improved polarizability anisotropy and quadratic hyperpolarizability compared with the monoanionic oxide or sulfide tetrashedra.
44
Sr5Ga8O3S14: A Nonlinear Optical Oxysulfide with Melilite-Derived Structure and Wide Band Gap
Ruiqi Wang,Yangwu Guo,Xian Zhang,Yi Xiao,Jiyong Yao,Fuqiang Huang,Fuqiang Huang,Fuqiang Huang +7 more
TL;DR: Density functional theory calculations indicate that the band edges are mainly composed of the Ga-S bond orbitals, with little participation of O 2p near the valence band maximum.
42
Agar and egg shell derived calcium carbonate and calcium hydroxide nanoparticles: Synthesis, characterization and applications
Shanza Rauf Khan,Saba Jamil,Hummayun Rashid,Shahid Ali,Safyan A. Khan,Muhammad Ramzan Saeed Ashraf Janjua +5 more
TL;DR: In this paper, the authors used XRD data of all products and their structural models are constructed, and the results indicate that the products possess significant potential to be used as catalyst and fuel additive.
41
K3B6O9F3: A New Fluorooxoborate with Four Different Anionic Units
Guopeng Han,Guoqiang Shi,Ying Wang,Bingbing Zhang,Shujuan Han,Fangfang Zhang,Zhihua Yang,Shilie Pan +7 more
TL;DR: K3 B6 O9 F3, a first fluorooxoborate containing four different units, has been designed and synthesized by two different routes and the unique anionic 2∞ [B6 O 9 F3 ]3- layers avoid forming terminal oxygen atoms, which are beneficial to enlarge the band gap.
41
Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials
Xin Liu,Yi‐Chang Yang,Mengyue Li,Ling Chen,Ligang Wu +4 more
TL;DR: The anisotropic structure building unit (ABUCB) encompassing diverse chemical bonds enhances macroscopic optical anisotropy in 2nd-NLO materials.
40
References
Hybrid functionals based on a screened Coulomb potential
TL;DR: In this paper, a new hybrid density functional based on a screened Coulomb potential for the exchange interaction is proposed, which enables fast and accurate hybrid calculations, even of usually difficult metallic systems.
17.6K
First principles methods using CASTEP
Stewart J. Clark,Matthew D. Segall,Chris J. Pickard,P. J. Hasnip,Matt Probert,Keith Refson,Mike C. Payne +6 more
TL;DR: The CASTEP program as mentioned in this paper is a computer program for first principles electro-Nic structure calculations, and some of its features and capabilities are described and near-future development plans outlined.
Influence of the exchange screening parameter on the performance of screened hybrid functionals.
TL;DR: This work reexamines the effect of the exchange screening parameter omega on the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid functional and recommends a new version of HSE with the screened parameter omega=0.11 bohr(-1) for further use.
6.1K
A Powder Technique for the Evaluation of Nonlinear Optical Materials
S. Kurtz,T. T. Perry +1 more
TL;DR: In this article, an experimental technique using powders is described which permits the rapid classification of materials according to the magnitude of nonlinear optical coefficients relative to a crystalline quartz standard and the existence or absence of phase matching direction(s) for second-harmonic generation.
5.5K
A powder technique for the evaluation of nonlinear optical materials
S. Kurtz,T. T. Perry +1 more
TL;DR: In this paper, an experimental technique using powders is described which permits the rapid classification of materials according to the magnitude of nonlinear optical coefficients relative to a crystalline quartz standard and the existence or absence of phase matching direction(s) for second-harmonic generation.
3.3K