Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response

Cammarata, Antonio; Rondinelli, James M.

doi:10.1021/ph400049h

Cited by 24 publications

(29 citation statements)

References 38 publications

(35 reference statements)

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“…In the complex nonlinear optical materials, it is important to distinguish a functional building unit responsible for SHG or equivalently an optically active center and clarify its nature [21][22][23]. The unique feature of the croconic acid crystal is that the π-electron system in each molecule, which is the optically active center of this material, interacts with π-electron systems of the neighboring molecules through hydrogen bonds.…”

mentioning

confidence: 99%

Ultrafast Photoinduced Electric-Polarization Switching in a Hydrogen-Bonded Ferroelectric Crystal

et al. 2017

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Croconic acid crystals show proton displacive-type ferroelectricity with a large spontaneous polarization reaching 20 μC/cm^{2}, which originates from the strong coupling of proton and π-electron degrees of freedom. Such a coupling makes us expect a large polarization change by photoirradiations. Optical-pump second-harmonic-generation-probe experiments reveal that a photoexcited croconic-acid crystal loses the ferroelectricity substantially with a maximum quantum efficiency of more than 30 molecules per one absorbed photon. Based on density functional calculations, we theoretically discuss possible pathways toward the formation of a one-dimensional domain with polarization inversion and its recovery process to the ground state by referring to the dynamics of experimentally obtained polarization changes.

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confidence: 99%

Ultrafast Photoinduced Electric-Polarization Switching in a Hydrogen-Bonded Ferroelectric Crystal

et al. 2017

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“…We will use beta barium borate, β -BaB 2 O 4 , a widely used nonlinear optical crystal, as an example. Using a parent structure ( λ =0) with symmetry 37 , we construct a distortion with R 3 c variants at λ =−1 and λ =+1. This distortion pathway has symmetry.…”

Section: Resultsmentioning

confidence: 99%

The antisymmetry of distortions

VanLeeuwen

Gopalan

2015

Nat Commun

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Distortions are ubiquitous in nature. Under perturbations such as stresses, fields or other changes, a physical system reconfigures by following a path from one state to another; this path, often a collection of atomic trajectories, describes a distortion. Here we introduce an antisymmetry operation called distortion reversal that reverses a distortion pathway. The symmetry of a distortion pathway is then uniquely defined by a distortion group; it has the same form as a magnetic group that involves time reversal. Given its isomorphism to magnetic groups, distortion groups could have a commensurate impact in the study of distortions, as the magnetic groups have had in the study of magnetic structures. Distortion symmetry has important implications for a range of phenomena such as structural and electronic phase transitions, diffusion, molecular conformational changes, vibrations, reaction pathways and interface dynamics.

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“…To date, although various ideas have been put forward on how to design NLO crystals with large SHG effect [8][9][10], the anionic group theory has achieved great success in guiding the design and synthesis of UV and deep-UV NLO. Based on the anionic group theory [11,12], there are two ways to produce large NLO effects: (1) favorable NLO-active structural units are in coparallel alignment in crystal and (2) the density of NLO-active structural units is high in crystal.…”

Section: Introductionmentioning

confidence: 99%

Na4Yb(CO3)3F: A New UV Nonlinear Optical Material with a Large Second Harmonic Generation Response

2018

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A new nonlinear optical crystals fluoride carbonate, Na 4 Yb(CO 3 ) 3 F, has been synthesized by mild hydrothermal method. The Na 4 Yb(CO 3 ) 3 F crystallizes in the noncentrosymmetric space group Cc (no. 9) with the lattice parameters a = 8.018(3), b = 15.929(5), c = 13.950(5) Å and β = 101.425(6) • . The compound Na 4 Yb(CO 3 ) 3 F has a high density of [CO 3 ] groups. The structure can be described as one-dimensional [Na 5 Yb(CO 3 ) 2 F 2 ] chains connected by [CO 3 ] groups, forming an intricate three-dimensional (3D) framework. Other Na + and Yb 3+ cations are located in the cavities of 3D network. The powder second harmonic generation (SHG) measurement shows that Na 4 Yb(CO 3 ) 3 F features a large SHG response, about 4.3 times that of KH 2 PO 4 (KDP), and is a phase-matchable material. In addition, its UV-Vis-NIR diffuse reflectance spectral data indicate that Na 4 Yb(CO 3 ) 3 F has a large optical gap about 4.72 eV, which corresponds to the UV cut-off edge of 263 nm.

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Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response

Cited by 24 publications

References 38 publications

Ultrafast Photoinduced Electric-Polarization Switching in a Hydrogen-Bonded Ferroelectric Crystal

Ultrafast Photoinduced Electric-Polarization Switching in a Hydrogen-Bonded Ferroelectric Crystal

The antisymmetry of distortions

Na4Yb(CO3)3F: A New UV Nonlinear Optical Material with a Large Second Harmonic Generation Response

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