Abstract
The dynamic of hydrogen in Lithium niobate is explained by adopting Morse potential. The diffused hydrogen substitutes Lithium, and it makes bonding with one oxygen atom of a facet of oxygen triangle. Bonds will be stretched to set up anharmonic vibration. Damped anharmonic oscillation is derived to explain the dynamics of hydrogen as an impurity. The thermal fluctuation is studied by Fokker–Planck equation (FPE) has an important role to determine the diffusion constant for substitutional hydrogen. Relaxation time is the result of diffusion coefficient. Probability of substitutional hydrogens in different quantum state is studied with help of Boltzmann distribution. Arrhenius expressions have been derived from analysis of FPE. The derivation of absorption coefficient of absorption band of stretching vibration of OH bond with damping constant is nearly equal to experimental result.
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs40033-021-00275-0/MediaObjects/40033_2021_275_Fig1_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs40033-021-00275-0/MediaObjects/40033_2021_275_Fig2_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs40033-021-00275-0/MediaObjects/40033_2021_275_Fig3_HTML.png)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs40033-021-00275-0/MediaObjects/40033_2021_275_Fig4_HTML.png)
Similar content being viewed by others
References
M E Lines and A M Glass, Principles and Applications of Ferroelectrics and Related Materials.OUP Oxford (1977).
S. Kim, V. Gopalan, A. Gruverman, Coercive fields in ferroelectrics: a case study in lithium niobate and lithium tantalite. Appl. Phys. Lett. 80, 2740 (2002)
K.T. Gahagan et al., Integrated electro-optic lens/scanner in a LiTaO3 single crystal. Appl. Opt. 38, 1186–1190 (1999)
S. Kim, V. Gopalan, K. Kitamura, Y. Furukawa, Domain reversal and nonstoichiometry in lithium tantalite. J. Appl. Phys. 90, 2949 (2001)
M. Dawber, K.M. Rabe, J.F. Scott, Physics of thin-film ferroelectric oxides. Rev. Mod. Phys. 77(4), 1083 (2005)
A.M. Prokhorov, Y.S. Kuzminov, Physics and Chemistry of Crystalline Lithium Niobate (Adam Hilger, New York, 1990)
Y.N. Korkishko, V.A. Fedorov, Relationship between refractive indices and hydrogen concentration in proton exchanged LiNbO3 waveguides. J. Appl. Phys. 82(3), 1010 (1997)
R. Hunsperger, Integrated Optics: Theory and Technology (Spinger, New York, 2009)
R.G. Smith, D.B. Fraser, R.T. Denton, T.C. Rich, Correlation of reduction in optically induced refractive index inhomogeneity with OH content in LiTaO3 and LiNbO3. J. Appl. Phys. 39(10), 4600 (1968)
J.M. Zavada, H.C. Casey, CH Chem and ALono, Correlation of refractive index profiles with substitutional hydrogen concentrations in annealed proton-exchanged LiNbO3 waveguides. Appl. Phys. Lett. 62(22), 2769 (1993)
I. Nee, K. Buse, F. Avenmer, R.A. Rupp, M. Fally, R.P. May, Neutron diffraction from thermally fixed gratings in photorefractive lithium niobate crystals. Phys. Rev. B 60(14), R9896 (1999)
R. Liyong, L. Liren, L. Dean, Z Jifeng andL Zhu, Recording and fixing dynamics of nonvolatile photorefractive holograms in LiNbO3:Fe: Mn crystals. Opt. Soc. Am. J. B 20(10), 2162–2173 (2003)
L. Kovacs, M. Wohlecke, A. Jovanovic, K. Polgar, S. Kapphan, Infrared absorption study of the OH vibrational band in LiNbO3 crystals. J. Phys. Chem. Solids 52(6), 797 (1991)
C.E. Rice, The structure and properties of Li1−xHxNbO3. J. Solid State Chem. 64(2), 188 (1986)
T. Volk, M. Wohlecke, Lithium Niobate (Spinger, New York, 2008)
V. Bermudez, L. Huang, D. Hui, S. Field, E. Dieguez, Role of stoichiometric point defect in electric-field-poling lithium niobate. Appl. Phys. A 70, 591–594 (2000)
V. Gopalan, T.E. Mitchell, K.E. Sicakfus, Switching kinetics of 180° domains in congruent LiNbO3 and LiTaO3 crystals. Solid State Commun. 109(2), 111–117 (1999)
A.K. Bandyopadhyay, P.C. Roy, V. Gopalan, An approach to the Klein-Gordon equation for a dynamic study in ferroelectric materials. J. Phys. Condens. Matter 18(16), 4093 (2006)
P. Giri, K. Choudhary, A. Dey, A. Biswas, A. Ghosal, A.K. Bandyopadhyay, Discrete energy levels of bright solitons in lithium niobate ferroelectrics. Phys. Rev. B 86(18), 184101 (2012)
P. Giri, M.K. Mandal, Dark soliton based frequency dependent dielectric constant of ferroelectric materials. AIP Adv. 4, 107140 (2014)
W.B. Yan et al., The H+ related defects in near-stoichiometric lithium niobate crystals investigated by domain reversal. Phys. Stat. Solidi 201(9), 2013–2020 (2004)
H.H. Nahm, C.H. Park, Microscopic structure of hydrogen impurity in LiNbO3. Appl. Phys. Lett. 78(24), 3812 (2001)
P.M. Morse, Diatomic molecules according to the wave mechanics II vibrational levels. Phys. Rev. 34(1), 57 (1929)
H. Risken, The Fokker Planck Equation: Methods of Solution and Applications (Springer, New York, 1996)
S. Viktor, L. Krisztian, K. Laszlo, T. Vicente, H. Alfonso, Vibrations of H+(D+) in stoichiometric LiNbO3 single crystal. J. Chem. Phys. 135(12), 124501 (2011)
J.B. Bates, J.C. Wang, R.A. Perkins, Mechanisms for hydrogen diffusion in TiO2. Phys. Rev. B 19(8), 4130 (1979)
F. Freytag, G. Corradi, M. Imlau, Atomic insight to lattice distortions caused by carrier self-trapping in oxide materials. Nat. Sci. Rep. 6, 36929 (2016)
G.R. Paz-Pujait, D.D. Tuschel, S.T. Lee, L.M. Salter, Characterization of proton exchange lithium niobate waveguides. J. Appl. Phys. 76(7), 3981 (1994)
H.C. Casey, C.H. Chen, J.M. Zavada, S.W. Novak, Analysis of hydrogen diffusion from proton-exchanged layers in LiNbO3. Appl. Phys. Lett. 63(6), 718 (1993)
M.M. Howerton, W.K. Burns, P.R. Skeath, A.S. Greenblatt, Dependence of refractive index on hydrogen concentration in proton exchanged LiNbO3. IEEE J. Quantum Electron. 27(3), 593–601 (1991)
A. Grone, S. Kapphan, Sharp temperature dependent OH/OD IR-absorption bands in nearly stoichiometric LiNbO3. J. Phys. Chem. Solids 56, 687–701 (1995)
S. Klauer, M. Wohlecke, S. Kapphan, Influence of H-D isotopic substitution on the protonic conductivity of LiNbO3. Phys. Rev. B 45(6), 2786 (1992)
W. Bollmann, Diffusion of hydrogen (OH− Ions) in LiNbO3 crystals. Phys. Stat. Sol. A 104(2), 643–648 (1987)
Funding
There is no external funding for this research work.
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
Conflict of interest
The authors declare that they have no conflict of interest.
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
About this article
Cite this article
Giri, P., Biswas, A. & Mandal, M.K. Analysis of Substitutional Hydrogen Diffusional Coefficient in LiNbO3 under Anharmonic Potential. J. Inst. Eng. India Ser. D 102, 283–289 (2021). https://doi.org/10.1007/s40033-021-00275-0
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s40033-021-00275-0