A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs

Wu, Kui; Yang, Ya; Gao, Lihua

doi:10.1016/j.ccr.2020.213380

Cited by 70 publications

(41 citation statements)

References 178 publications

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“…Except for chemical composition, the structural phasetransitions are also an attractive research strategy for designing and synthesizing new functional crystals, [23] for example, BaB 2 O 4 (BBO) (a: Rc; b: R3c), [2] Be 2 BO 3 F(a: C2; b: Rc; g: R32), [24] Ba 2 [VO 2 F 2 (IO 3 ) 2 ]IO 3 (a: Pbcn; b: P2 1 2 1 2 1 ; g: Pna2 1 ; d: P2 1 ), [25] Pb 2 Ba 4 Zn 4 B 14 O 31 (a: P1; b: Cc), [26] BaTeMo 2 O 9 (a: Pca2 1 ; b: P2 1 ), [27] K 2 Hg 3 Ge 2 S 8 (a: Aba2; b: C2). [28] Especially for a-BBO and b-BBO, a-BBO with acentrosymmetric (CS) structure is one of the most excellent birefringent crystals capable of modulating the polarization of lights, [29] while b-BBO that crystallizes in the noncentrosymmetric (NCS) space group is an otable NLO crystal for commercial application.…”

Section: Introductionmentioning

confidence: 99%

Designing A New Infrared Nonlinear Optical Material, β‐BaGa₂Se₄ Inspired by the Phase Transition of the BaB₂O₄ (BBO) Crystal

Zhang

Bian

et al. 2021

Angew Chem Int Ed

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Infrared nonlinear optical (IR NLO) crystals play as ignificant role in the development of IR laser technology. But rationally designing anew IR NLO crystal remains ahuge challenge because of the unpredictability of inorganic structures.H erein, inspired by phase transformation of the famous BaB 2 O 4 (BBO) crystal, atemperature-induced centrosymmetric (CS) to noncentrosymmetric (NCS) transformation approach is employed in CS BaGa 2 Se 4 to uncover an ew NCS ternary chalcogenide, b-BaGa 2 Se 4 whichc an exhibit the wellbalanced NLO properties,including moderate phase-matching SHG response ( % 0.6 AgGaS 2 ), high LDT (10 AgGaS 2 ), and large birefringence (Dn = 0.18 in the visible region). Therefore, b-BaGa 2 Se 4 will be ap romising IR NLO crystal. The analysis for the structure-property relationship shows that the excellent NLO properties of b-BaGa 2 Se 4 mainly originate from edge-sharing GaSe 4 tetrahedral chains,w hicha re different from B 3 O 6 groups in b-BBO and respect an ew direction for the design of IR NLO crystals.S o, we believe that the current researchp rovides not only an ew IR NLO crystal but also some insights for the design of new IR NLO crystals.

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Section: Introductionmentioning

confidence: 99%

Designing A New Infrared Nonlinear Optical Material, β‐BaGa₂Se₄ Inspired by the Phase Transition of the BaB₂O₄ (BBO) Crystal

Zhang

Bian

et al. 2021

Angew Chem Int Ed

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“…), and d 10 transition metals (Zn 2+ , Ag + , Cd 2+ , etc. ) − have been considered to be introduced to IR NLO phosphides. Because these cations benefit from the second-order Jahn–Teller (SOJT) effect or a large polar displacement, they easily form asymmetrical polyhedra and are thus favorable for generating larger SHG responses.…”

Section: Introductionmentioning

confidence: 99%

α-Ca₂CdP₂ and β-Ca₂CdP₂: Two Polymorphic Phosphide-Based Infrared Nonlinear Crystals with Distorted NLO-Active Tetrahedral Motifs Realizing Large Second Harmonic Generation Effects and Suitable Band Gaps

et al. 2021

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Two polymorphic phosphide-based infrared (IR) nonlinear optical (NLO) crystals, α-Ca2CdP2 and β-Ca2CdP2, were obtained by combining alkaline-earth metals and d10 transition metals using metal flux and metal salt flux methods, respectively. The crystal structure of α-Ca2CdP2 is orthorhombic in the space group Cmc21 (no. 36), while the structure of β-Ca2CdP2 is monoclinic in the space group Cm (no. 8). Both are two-dimensional layered structures that are composed of CdP4 tetrahedra layers via sharing vertices, which stack along the b-axis and the c-axis, respectively. The second harmonic generation (SHG) measurements manifest that α-Ca2CdP2 and β-Ca2CdP2 exhibit strong SHG intensities (1.41 and 3.28× that of AgGaS2 at a 2050 nm laser, respectively). Other optical measurements indicate that α-Ca2CdP2 and β-Ca2CdP2 have suitable band gaps (1.98 and 1.55 eV, respectively), high laser-induced damage thresholds (4.5 and 3.1× that of AgGaS2 at 1064 nm laser, respectively) and appropriate birefringence (0.12 and 0.20 at 2050 nm, respectively) in addition to covering wide infrared transparent regions. The research on α-Ca2CdP2 and β-Ca2CdP2 demonstrates that they are potential IR NLO candidates. Theoretical calculations uncover that their SHG effects are from distorted CdP4 tetrahedra, highlighting that tetrahedral motifs, including d10 transition metals, would be ideal NLO-active building blocks.

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“…Nonlinear optical (NLO) crystals become increasingly important on the basis of photoelectron technology and draw great attention due to the application of converting frequencies from the existing lasers to 2–12 μm. − The metal chalcogenide is a rich source for exploring IR NLO materials since most of them possess a large NLO coefficient, wide transparent range, and high laser damage threshold (LDT). A new γ-phase Ag x Ga x Ge 1– x Se 2 that belonged to the Fdd2 space group ( x = 0.25) was discovered when investigating the AgGaSe 2 -GeSe 2 phase diagram .…”

Section: Introductionmentioning

confidence: 99%

Investigation of the Anisotropic Thermal Expansion Mechanism of Ag_xGa_xGe_1–xSe₂ Crystals

Liu

et al. 2021

Inorg. Chem.

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Quaternary nonlinear optical single crystals Ag x Ga x Ge1–x Se2 (x = 0.250, 0.167) were grown by the Bridgman method in a four-zone furnace. The thermal expansion behavior of Ag x Ga x Ge1–x Se2 (x = 0.25, 0.167) was studied by the method of single-crystal X-ray diffraction from 150 to 295 K and powder X-ray diffraction in the range of 298–773 K. Both results show the crystals have positive linear thermal expansion coefficients in different directions and a positive volume thermal expansion coefficient, and it is observed that they satisfy the relationship of α a > α c > α b and α V ≈ α a + α b + α c for the orthorhombic structure. It is found that the Ag x Ga x Ge1–x Se2 (x = 0.25, 0.167) unit cells varying with temperature were mainly dominated by variations in framework geometry (AgSe4 tetrahedron), and the thermal motion of Ag atoms in the AgSe4 tetrahedron. As it was revealed, according to the powder X-ray diffraction, it is found that the isotropic thermal atomic displacement parameter of the Ag atoms is much larger than those of the Se and Ga(Ge) atoms in the AgSe4 tetrahedron. Furthermore, anisotropic atomic displacement parameters (ADPs) of Ag atoms are extracted from the single-crystal diffraction; the ADPs along the a axis, b axis, and c axis have a significant difference, which means the thermal vibration of Ag atoms is anisotropic. It is of great significance for improving crystal growth technology and understanding the thermal properties of this kind of crystals.

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A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs

Cited by 70 publications

References 178 publications

Designing A New Infrared Nonlinear Optical Material, β‐BaGa₂Se₄ Inspired by the Phase Transition of the BaB₂O₄ (BBO) Crystal

Designing A New Infrared Nonlinear Optical Material, β‐BaGa₂Se₄ Inspired by the Phase Transition of the BaB₂O₄ (BBO) Crystal

α-Ca₂CdP₂ and β-Ca₂CdP₂: Two Polymorphic Phosphide-Based Infrared Nonlinear Crystals with Distorted NLO-Active Tetrahedral Motifs Realizing Large Second Harmonic Generation Effects and Suitable Band Gaps

Investigation of the Anisotropic Thermal Expansion Mechanism of Ag_xGa_xGe_1–xSe₂ Crystals

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A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs

Cited by 70 publications

References 178 publications

Designing A New Infrared Nonlinear Optical Material, β‐BaGa2Se4 Inspired by the Phase Transition of the BaB2O4 (BBO) Crystal

Designing A New Infrared Nonlinear Optical Material, β‐BaGa2Se4 Inspired by the Phase Transition of the BaB2O4 (BBO) Crystal

α-Ca2CdP2 and β-Ca2CdP2: Two Polymorphic Phosphide-Based Infrared Nonlinear Crystals with Distorted NLO-Active Tetrahedral Motifs Realizing Large Second Harmonic Generation Effects and Suitable Band Gaps

Investigation of the Anisotropic Thermal Expansion Mechanism of AgxGaxGe1–xSe2 Crystals

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Designing A New Infrared Nonlinear Optical Material, β‐BaGa₂Se₄ Inspired by the Phase Transition of the BaB₂O₄ (BBO) Crystal

Designing A New Infrared Nonlinear Optical Material, β‐BaGa₂Se₄ Inspired by the Phase Transition of the BaB₂O₄ (BBO) Crystal

α-Ca₂CdP₂ and β-Ca₂CdP₂: Two Polymorphic Phosphide-Based Infrared Nonlinear Crystals with Distorted NLO-Active Tetrahedral Motifs Realizing Large Second Harmonic Generation Effects and Suitable Band Gaps

Investigation of the Anisotropic Thermal Expansion Mechanism of Ag_xGa_xGe_1–xSe₂ Crystals