Processing-induced structural modulation and nonlinear optical enhancement in aminofluorene-modified LiNbO₃

1. C. Xia, R.C. Advincula, Decreased Aggregation Phenomena in Polyfluorenes by Introducing Controlled Structural Disorder. Macromolecules. 34(17), 5854–5859 (2001). https://doi.org/10.1021/ma002036h10.1021/ma002036h ↗

2. W.M. Haynes (ed.), CRC Handbook of Chemistry and Physics, 95th edn. (CRC, Boca Raton, FL, USA, 2015), pp. 3–272

3. C.C. Corredor, Z.L. Huang, K.D. Belfield, A.R. Morales, M.V. Bondar, Two-Photon Absorbing Fluorene Derivatives: Synthesis, Characterization and Optical Properties. Chem. Mater. 19, 5165–5173 (2007). https://doi.org/10.1021/cm071309p10.1021/cm071309p ↗

4. P.N. Prasad, D.J. Williams, Introduction to Nonlinear Optical Effects in Molecules and Polymers (Wiley-Interscience, New York, USA, 1991)

5. J. Zyss, Molecular Nonlinear Optics: Materials, Physics, and Devices (Academic, San Diego, CA, USA, 1994)

6. C. Bosshard, K. Sutter, P. Pretre, J. Hulliger, M. Florsheimer, P. Kaatz, P. Günter, Organic Nonlinear Optical Materials (Gordon and Breach Science, Amsterdam, The Netherlands, 1995)

7. S.R. Marder, B. Kippelen, A.K.-Y. Jen, N. Peyghambarian, Design and Synthesis of Chromophores and Polymers for Electro-Optic and Photorefractive Applications. Nature. 388, 845–851 (1997). https://doi.org/10.1038/4224610.1038/42246 ↗

8. L.R. Dalton, P.A. Sullivan, D.H. Bale, Electric Field Poled Organic Electro-Optic Materials: State of the Art and Future Prospects. Chem. Rev. 110(1), 25–55 (2010). https://doi.org/10.1021/cr900042910.1021/cr9000429 ↗

9. G.S. He, L.-S. Tan, Q. Zheng, P.N. Prasad, Multiphoton Absorbing Materials: Molecular Designs, Characterizations, and Applications. Chem. Rev. 108(4), 1245–1330 (2008). https://doi.org/10.1021/cr050054x10.1021/cr050054x ↗

10. X. Hu, K. Shmelev, L. Sun, E.-S. Gil, S.-H. Park, P. Cebe, D.L. Kaplan, Regulation of Silk Material Structure by Temperature-Controlled Water Vapor Annealing. Biomacromolecules. 12(5), 1686–1696 (2011). https://doi.org/10.1021/bm200062a10.1021/bm200062a ↗

11. Y.J. Cheng, S.H. Yang, C.S. Hsu, Synthesis of Conjugated Polymers for Organic Solar Cell Applications. Chem. Rev. 109(11), 5868–5923 (2009). https://doi.org/10.1021/cr900182s10.1021/cr900182s ↗

12. M. Albota, D. Beljonne, J.-L. Brédas, J.E. Ehrlich, J.-Y. Fu, A.A. Heikal, S.E. Hess, T. Kogej, M.D. Levin, S.R. Marder, D. McCord-Maughon, J.W. Perry, H. Röckel, M. Rumi, G. Subramaniam, W.W. Webb, X.-L. Wu, C. Xu, Design of Organic Molecules with Large Two-Photon Absorption Cross Sections. Science. 281(5383), 1653–1656 (1998). https://doi.org/10.1126/science.281.5383.165310.1126/science.281.5383.1653 ↗

13. M. Sheik-Bahae, A.A. Said, T.-H. Wei, D.J. Hagan, Van E.W. Stryland, Sensitive Measurement of Optical Nonlinearities Using a Single Beam. IEE J. Quantum Electron. 26(4), 760–769 (1990). https://doi.org/10.1109/3.5339410.1109/3.53394 ↗

14. H.S. Nalwa, Handbook of Organic Conductive Molecules and Polymers, vol. 1 (Wiley, Chichester, UK, 1993)

15. C.J. Brinker, G.W. Scherer, Sol–Gel Science: The Physics and Chemistry of Sol–Gel Processing (Academic, San Diego, CA, USA, 1990)

16. A.V. Prasada Rao, D.S. Paik, S. Komarneni, Preparation and Characterization of Sol–Gel Derived Materials. J. Electroceram. 2, 157–162 (1998). https://doi.org/10.1023/A:100998462913610.1023/A:1009984629136 ↗

17. W. Hizi, H. Rahmouni, N.E. Gorji, A. Guesmi, N.B. Hamadi, L. Khezami, E. Dhahri, K. Khirouni, M. Gassoumi, Impact of Sintering Temperature on the Electrical Properties of La0.9Sr0.1MnO3 Manganite. Catalysts 12(3) (2022) 340. https://doi.org/10.3390/catal1203034010.3390/catal12030340 ↗

18. M. Niederberger, G. Garnweitner, Organic Reaction Pathways in the Nonaqueous Synthesis of Metal Oxide Nanoparticles. Chemistry—A Eur. J. 12(28), 7282–7302 (2006). https://doi.org/10.1002/chem.20060031310.1002/chem.200600313 ↗

19. J. Tomasi, B. Mennucci, R. Cammi, Quantum Mechanical Continuum Solvation Models. Chem. Rev. 105(8), 2999–3093 (2005). https://doi.org/10.1021/cr990400910.1021/cr9904009 ↗

20. C. Lee, W. Yang, R.G. Parr, Development of the Colle–Salvetti Correlation-Energy Formula into a Functional of the Electron Density. Phys. Rev. B 37(2), 785–789 (1988). https://doi.org/10.1103/PhysRevB.37.78510.1103/PhysRevB.37.785 ↗

21. O. Sánchez-Dena, S.D. Villalobos-Mendoza, R. Farías, J.T. Elizalde-Galindo, M.H. Farías, Lithium Niobate Single Crystals and Powders Reviewed—Part I. Crystals. 10(11), 973 (2020). https://doi.org/10.3390/cryst1011097310.3390/cryst10110973 ↗

22. O. Sánchez-Dena, S.D. Villalobos-Mendoza, R. Farías, J.T. Elizalde-Galindo, M.H. Farías, Lithium Niobate Single Crystals and Powders Reviewed—Part II. Crystals. 10(11), 990 (2020). https://doi.org/10.3390/cryst1011099010.3390/cryst10110990 ↗

23. R.S. Weis, T.K. Gaylord, Lithium Niobate: Summary of Physical Properties and Crystal Structure. Appl. Phys. A 37, 191–203 (1985). https://doi.org/10.1007/BF0061744110.1007/BF00617441 ↗

24. R. Dennington, T.A. Keith, J.M. Millam, GaussView, Version 6 (Semichem Inc., Shawnee Mission, KS, USA, 2016)

25. R.K. Harris, E.D. Becker, S.M. de Cabral, P. Granger, R.E. Hoffman, K.W. Zilm, Further Conventions for NMR Shielding and Chemical Shifts. Pure Appl. Chem. 80(1), 59–84 (2008). https://doi.org/10.1351/pac20088001005910.1351/pac200880010059 ↗

26. D.N. Nikogosyan, Nonlinear Optical Crystals: A Complete Survey (Springer, New York, USA, 2005)

27. D.H. Friese, C. Hättig, K. Ruud, T. Helgaker, Calculation of Two-Photon Absorption Strengths with the Approximate Coupled Cluster Singles and Doubles Model CC2 Using the Resolution-of-Identity Approximation. Chem. Rev. 115(13), 5973–6001 (2015). https://doi.org/10.1021/cr500325g10.1021/cr500325g ↗

28. R.W. Boyd, Nonlinear Optics, 3rd edn. (Academic, New York, USA, 2016). https://doi.org/10.1016/C2009-0-14721-610.1016/C2009-0-14721-6 ↗

29. B.E.A. Saleh, M.C. Teich, Fundamentals of Photonics, 3rd edn. (Wiley, Hoboken, NJ, USA, 2019)

30. T. Luty, J. Fuks, Molecular Mechanisms of Nonlinear Optical Response in Organic Crystals. Chem. Phys. Lett. 325(3–4), 266–272 (2000). https://doi.org/10.1016/S0009-2614(00)00677-810.1016/S0009-2614(00)00677-8 ↗

31. O. Ostroverkhova, Organic Optoelectronic Materials: Mechanisms and Applications. Chem. Rev. 116(22), 13279–13412 (2016). https://doi.org/10.1021/acs.chemrev.6b0012710.1021/acs.chemrev.6b00127 ↗

32. R. Rajasekaran, P.M. Ushasree, R. Jayavel, P. Ramasamy, Growth and Characterization of Zinc Thiourea Chloride (ZTC): A Semiorganic Nonlinear Optical Crystal. J. Cryst. Growth. 229(1–4), 563–567 (2001). https://doi.org/10.1016/S0022-0248(01)01229-510.1016/S0022-0248(01)01229-5 ↗

33. L.R. Dalton, A.W. Harper, R. Ghosn, W.H. Steier, B.H. Robinson, C. Zhang, Synthesis and Processing of Improved Organic Second-Order Nonlinear Optical Materials for Applications in Photonics. J. Mater. Chem. 13(1), 1–7 (2003). https://doi.org/10.1039/B207390C10.1039/B207390C ↗

34. T. Steiner, The Hydrogen Bond in the Solid State. Angew. Chem. Int. Ed. 41(1), 48–76 (2002). https://doi.org/10.1002/1521-3773. ::AID-ANIE48>3.0.CO;2-U10.1002/1521-3773 ↗

35. S.C. Abrahams, J.M. Reddy, J.L. Bernstein, Ferroelectric Lithium Niobate. 3. Single Crystal X-Ray Diffraction Study at 24°C. Journal of Physics and Chemistry of Solids 27(6–7) (1966) 997–1012. https://doi.org/10.1016/0022-3697(66)90072-210.1016/0022-3697(66)90072-2 ↗

36. R.E. Newnham, M.J. Redman, Crystallographic Data for Lithium Niobate and Lithium Tantalate. J. Phys. Chem. Solids. 27(10), 1505–1512 (1966). https://doi.org/10.1016/0022-3697(66)90074-610.1016/0022-3697(66)90074-6 ↗

37. V.G. Dmitriev, G.G. Gurzadyan, D.N. Nikogosyan, Handbook of Nonlinear Optical Crystals, 3rd edn. (Springer, Berlin, Germany, 1999)10.1007/978-3-540-46793-9 ↗

38. G. Socrates, Infrared, Raman Characteristic Group Frequencies, Tables and Charts, 3rd edn. (Wiley, Chichester, UK, 2001)

39. G. Varsanyi, Vibrational Spectra of Benzene Derivatives (Academic, New York, USA, 1969)

40. A.S. Hassanien, A.A. Akl, Influence of Composition on Optical and Dispersion Parameters of Thermally Evaporated Non-Crystalline Cd50S50 – xSex Thin Films. Superlattices Microstruct. 89, 153–169 (2016). https://doi.org/10.1016/j.spmi.2015.11.04110.1016/j.spmi.2015.11.041 ↗

41. J. Tauc, R. Grigorovici, A. Vancu, Optical Properties and Electronic Structure of Amorphous Germanium. Phys. Status Solidi B 15(2), 627–637 (1966). https://doi.org/10.1002/pssb.1966015022410.1002/pssb.19660150224 ↗

42. E.A. Davis, N.F. Mott, Conduction in Non-Crystalline Systems V. Conductivity, Optical Absorption and Photoconductivity in Amorphous Semiconductors. Phil. Mag. 22(179), 903–922 (1970). https://doi.org/10.1080/1478643700822106110.1080/14786437008221061 ↗

43. D.E. Zelmon, D.L. Small, D. Jundt, Infrared Corrected Sellmeier Coefficients for Congruently Grown Lithium Niobate and 5 mol.% Magnesium Oxide-Doped Lithium Niobate. J. Opt. Soc. Am. B 14(12), 3319–3322 (1997). https://doi.org/10.1364/JOSAB.14.00331910.1364/JOSAB.14.003319 ↗

44. O. Gayer, Z. Sacks, E. Galun, A. Arie, Temperature and Wavelength Dependent Refractive Index Equations for MgO-Doped Congruent and Stoichiometric LiNbO3. Appl. Phys. B 91(2), 343–348 (2008). https://doi.org/10.1007/s00340-008-2998-210.1007/s00340-008-2998-2 ↗

45. K.P. Unnikrishnan, J. Thomas, V.P.N. Nampoori, C.P.G. Vallabhan, Nonlinear Optical Absorption and Refraction in Rhodamine B Dye Studied by Z-Scan Technique. Opt. Commun. 217(4–6), 269–274 (2003). https://doi.org/10.1016/S0030-4018(02)02392-610.1016/S0030-4018(02)02392-6 ↗

46. S.K. Kurtz, T.T. Perry, A Powder Technique for the Evaluation of Nonlinear Optical Materials. J. Appl. Phys. 39(8), 3798–3813 (1968). https://doi.org/10.1063/1.165685710.1063/1.1656857 ↗

47. Y.R. Shen, The Principles of Nonlinear Optics (Wiley-Interscience, New York, USA, 1984)

48. A. Yariv, P. Yeh, Photonics, Optical Electronics in Modern Communications, 6th edn. (Oxford University Press, New York, USA, 2007)

49. P.N. Butcher, D. Cotter, The Elements of Nonlinear Optics (Cambridge University Press, Cambridge, UK, 1990)10.1017/CBO9781139167994 ↗

50. D.S. Chemla, J. Zyss, Nonlinear Optical Properties of Organic Molecules and Crystals, Vols. 1 and 2 (Academic, Orlando, FL, USA, 1987)

51. H.S. Nalwa, S. Miyata, Nonlinear Optics of Organic Molecules and Polymers (CRC, Boca Raton, FL, USA, 1997)

52. D.R. Kanis, M.A. Ratner, T.J. Marks, Design and Construction of Molecular Assemblies with Large Second-Order Optical Nonlinearities. Quantum Chem. Aspects Chem. Reviews. 94(1), 195–242 (1994). https://doi.org/10.1021/cr00025a00710.1021/cr00025a007 ↗

53. J. Zyss, I. Ledoux, Nonlinear Optics in Multipolar Media: Theory and Experiments. Chem. Rev. 94(1), 77–105 (1994). https://doi.org/10.1021/cr00025a00410.1021/cr00025a004 ↗

54. A.F. Garito, K.Y. Wong, O. Zamani-Khamiri, Microscopic Origin of Second Order Nonlinear Optical Properties of Organic Structures, in Nonlinear Optical and Electroactive Polymers, ed. by P.N. Prasad, D.R. Ulrich (Springer, Boston, MA, USA, 1988), pp. 13–3910.1007/978-1-4613-0953-6_2 ↗

55. J.R. Heflin, K.Y. Wong, O. Zamani-Khamiri, A.F. Garito, Nonlinear Optical Properties of Linear Chains and Electron-Correlation Effects. Phys. Rev. B 38(2), 1573–1576 (1988). https://doi.org/10.1103/PhysRevB.38.157310.1103/PhysRevB.38.1573 ↗

56. R.G. Parr, L. Szentpály, S. Liu, Electrophilicity, Index, J. Am. Chem. Soc. 121(9), 1922–1924 (1999). https://doi.org/10.1021/ja983494x10.1021/ja983494x ↗

57. F. Weinhold, C.R. Landis, Valency and Bonding: A Natural Bond Orbital Donor–Acceptor Perspective (Cambridge University Press, Cambridge, UK, 2005)

58. A.D. Becke, III Density-Functional Thermochemistry, The Role of Exact Exchange. J. Chem. Phys. 98(7), 5648–5652 (1993). https://doi.org/10.1063/1.46491310.1063/1.464913 ↗

59. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, G.A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A.V. Marenich, J. Bloino, B.G. Janesko, R. Gomperts, B. Mennucci, H.P. Hratchian, J.V. Ortiz, A.F. Izmaylov, J.L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V.G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J.A. Jr. Montgomery, J.E. Peralta, F. Ogliaro, M.J. Bearpark, J.J. Heyd, E.N. Brothers, K.N. Kudin, V.N. Staroverov, T.A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A.P. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, J.M. Millam, M. Klene, C. Adamo, R. Cammi, J.W. Ochterski, R.L. Martin, K. Morokuma, O. Farkas, Foresman, J. B.; Fox, D. J. Gaussian 16, Revision C.01. Gaussian Inc., Wallingford, CT, USA, 2016

60. W. Kohn, L.J. Sham, 4A, Self-Consistent Equations Including Exchange and Correlation Effects. Phys. Rev. 140, A1133–A1138 (1965). https://doi.org/10.1103/PhysRev.140.A113310.1103/PhysRev.140.A1133 ↗

61. P. Hohenberg, W. Kohn, B), Inhomogeneous Electron Gas. Phys. Rev. 136(3), B864–B871 (1964). https://doi.org/10.1103/PhysRev.136.B86410.1103/PhysRev.136.B864 ↗

62. R. Bauernschmitt, R. Ahlrichs, Treatment of Electronic Excitations within the Adiabatic Approximation of Time Dependent Density Functional Theory. Chem. Phys. Lett. 256(4–5), 454–464 (1996). https://doi.org/10.1016/0009-2614(96)00440-X10.1016/0009-2614(96)00440-X ↗

63. M.E. Casida, Time-Dependent Density Functional Response Theory for Molecules, in Recent Advances in Density Functional Methods, Part I, ed. by D.P. Chong (World Scientific, Singapore, 1995), pp. 155–19210.1142/9789812830586_0005 ↗

64. R.S. Mulliken, Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I. J. Chem. Phys. 23(10), 1833–1840 (1955). https://doi.org/10.1063/1.174058810.1063/1.1740588 ↗

65. A.E. Reed, L.A. Curtiss, F. Weinhold, Intermolecular Interactions from a Natural Bond Orbital, Donor–Acceptor Viewpoint. Chem. Rev. 88(6), 899–926 (1988). https://doi.org/10.1021/cr00088a00510.1021/cr00088a005 ↗

66. R.F.W. Bader, Atoms in Molecules: A Quantum Theory (Oxford University Press, Oxford, UK, 1990)10.1093/oso/9780198551683.001.0001 ↗

67. A.K. Rappe, W.A. Goddard, Charge Equilibration for Molecular Dynamics Simulations. J. Phys. Chem. 95(8), 3358–3363 (1991). https://doi.org/10.1021/j100161a07010.1021/j100161a070 ↗

68. M. Hebbache, M. Zemzemi, Ab Initio Study of High-Pressure Behavior of Lithium Niobate. Phys. Rev. B 70(22), 224107 (2004). https://doi.org/10.1103/PhysRevB.70.22410710.1103/PhysRevB.70.224107 ↗

69. K. Buse, Light-Induced Charge Transport Processes in Photorefractive Crystals I: Models and Experimental Methods. Appl. Phys. B 64, 273–291 (1997). https://doi.org/10.1007/s00340005017410.1007/s003400050174 ↗