Raman scattering efficiency inLiTaO3andLiNbO3crystals
Abstract
${\mathrm{LiTaO}}_{3}$ and ${\mathrm{LiNbO}}_{3}$ crystals are investigated here in a combined experimental and theoretical study that uses Raman spectroscopy in a complete set of scattering geometries and corresponding density-functional theory calculations to provide microscopic information on their vibrational properties. The Raman scattering efficiency is computed from first principles in order to univocally assign the measured Raman peaks to the calculated eigenvectors. Measured and calculated Raman spectra are shown to be in qualitative agreement and confirm the mode assignment by Margueron et al. [J. Appl. Phys. 111, 104105 (2012)], thus finally settling a long debate. While the two crystals show rather similar vibrational properties overall, the ${\text{E-TO}}_{9}$ mode is markedly different in the two oxides. The deviations are explained by a different anion-cation bond type in ${\mathrm{LiTaO}}_{3}$ and ${\mathrm{LiNbO}}_{3}$ crystals.
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Recent measurements suggest charge carrier effects are stronger in LNOI than in comparable bulk devices, possibly due to tighter optical confinement and higher crystal defect concentration in LNOI.
“Recent measurements [183,342,457,458] suggest that these effects are stronger in LNOI than in comparable bulk devices, possibly due to the tighter optical confinement and higher crystal defect concentration in LNOI.”
From Integrated photonics on thin-film lithium niobate (2021) · cites this paper as [342]
Efforts to reduce photorefractive effects in LNOI have shown that photorefractive shifts can be reduced by annealing and using uncladded waveguides.
“Efforts to reduce photorefractive effects in LNOI have shown that photorefractive shifts can be reduced by annealing and using uncladded waveguides [342], but further work is required to understand the impact of material properties and device geometry on photorefraction in LNOI devices.”
From Integrated photonics on thin-film lithium niobate (2021) · cites this paper as [342]
Cites
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652 · see citing works
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732 · see citing works
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307 · see citing works
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,541 · see citing works
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721 · see citing works
Shannon, R. D. (1976) · Acta Crystallographica Section A · doi:10.1107/s0567739476001551 · Cited by 66,145 · see citing works
Perdew, J. P., Chevary, J. A., Vosko, S. H., Jackson, K. A., Pederson, M. R., Singh, D. J., & Fiolhais, C. (1992) · Physical review. B, Condensed matter · doi:10.1103/physrevb.46.6671 · Cited by 22,222 · see citing works
Perdew, J. P., & Yue, W. (1986) · Physical review. B, Condensed matter · doi:10.1103/physrevb.33.8800 · Cited by 4,332 · see citing works
Linear optical properties in the projector-augmented wave methodology
Gajdoš, M., Hummer, K., Kresse, G., Furthmüller, J., & Bechstedt, F. (2006) · Physical Review B · doi:10.1103/physrevb.73.045112 · Cited by 3,514 · see citing works
Lithium niobate: Summary of physical properties and crystal structure
Weis, R. S., & Gaylord, T. K. (1985) · Applied Physics A Solids and Surfaces · doi:10.1007/bf00614817 · Cited by 1,868 · see citing works
Non-volatile holographic storage in doubly doped lithium niobate crystals
Buse, K., Adibi, A., & Psaltis, D. (1998) · Nature · doi:10.1038/31429 · Cited by 506 · see citing works
Wong, K.-H., & Inspec (2002) · Cited by 466 · see citing works
Lithium Niobate: Defects, Photorefraction and Ferroelectric Switching
Volk, T. R., & Wöhlecke, M. (2008) · Springer series in materials science · doi:10.1007/978-3-540-70766-0 · Cited by 402 · see citing works
Dielectric Properties and Optical Phonons in LiNb O 3
Barker, A. S., & Loudon, R. (1967) · Physical Review · doi:10.1103/physrev.158.433 · Cited by 383 · see citing works
Veithen, M., Gonze, X., & Ghosez, P. (2005) · Physical Review B · doi:10.1103/physrevb.71.125107 · Cited by 310 · see citing works
Quantitative Determination of Sources of the Electro-Optic Effect in LiNb O3 and LiTa O3
Kaminow, I. P., & Johnston, W. D. (1967) · Physical Review · doi:10.1103/physrev.160.519 · Cited by 276 · see citing works
The composition dependence of the Raman spectrum and new assignment of the phonons in
Ridah, A., Bourson, P., Fontana, M. D., & Malovichko, G. I. (1997) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/9/44/022 · Cited by 205 · see citing works
Raman spectroscopy of lithium niobate and lithium tantalate. Force field calculations
Repelin, Y., HUSSON, E., Bennani, F., & Proust, C. (1999) · Journal of Physics and Chemistry of Solids · doi:10.1016/s0022-3697(98)00333-3 · Cited by 198 · see citing works
Raman Scattering by Lithium Niobate
Schaufele, R. F., & Weber, W. J. (1966) · Physical Review · doi:10.1103/physrev.152.705 · Cited by 173 · see citing works
Ab initiostructure and zone-center phonons in LiNbO3
Caciuc, V., Postnikov, A. V., & Börstel, G. (2000) · Physical review. B, Condensed matter · doi:10.1103/physrevb.61.8806 · Cited by 156 · see citing works
Bentini, G. G., Bianconi, M., Chiarini, M., Correrá, L., Sada, C., Mazzoldi, P., Argiolas, N., Bazzan, M., & Guzzi, R. (2002) · Journal of Applied Physics · doi:10.1063/1.1516843 · Cited by 150 · see citing works
Quantenfeldtheorie des Festkörpers
Haken, H. (1973) · Vieweg+Teubner eBooks · doi:10.1007/978-3-322-96694-0 · Cited by 126 · see citing works
Ab initiocalculations of phonons in LiNbO3
Parliński, K., Li, Z. Q., & Kawazoe, Y. (2000) · Physical review. B, Condensed matter · doi:10.1103/physrevb.61.272 · Cited by 125 · see citing works
Compositional behavior of Raman-active phonons in Pb(Zr1−xTix)O3 ceramics
Buixaderas, E., Gregora, I., Savinov, M., et al. (2015) · Physical Review B · doi:10.1103/physrevb.91.014104 · Cited by 106 · see citing works
Resolved E-symmetry zone-centre phonons in LiTaO3 and LiNbO3
Margueron, S. H., Bartasyte, A., Glazer, A. M., et al. (2012) · Journal of Applied Physics · doi:10.1063/1.4716001 · Cited by 99 · see citing works
Raman Spectra and Directional Dispersion in LiNbO3 and LiTaO3
Yang, X., Lan, G., Li, B., et al. (1987) · physica status solidi (b) · doi:10.1002/pssb.2221420130 · Cited by 93 · see citing works
Lattice site of Mg ion in LiNbO3crystal determined by Raman spectroscopy
Mouras, R., Fontana, M. D., Bourson, P., et al. (2000) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/12/23/313 · Cited by 90 · see citing works
Hermet, P., Veithen, M., & Ghosez, P. (2007) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/19/45/456202 · Cited by 69 · see citing works
Directional Dispersion and Assignment of Optical Phonons in LiNbO3
Claus, R., Brandmüller, J., Börstel, G., et al. (1972) · Zeitschrift für Naturforschung A · doi:10.1515/zna-1972-8-904 · Cited by 68 · see citing works
Temperature dependence of the Raman modes in LiNbO3 and mechanism of the phase transition
Ridah, A., Fontana, M. D., & Bourson, P. (1997) · Physical review. B, Condensed matter · doi:10.1103/physrevb.56.5967 · Cited by 66 · see citing works
Raptis, C. (1988) · Physical review. B, Condensed matter · doi:10.1103/physrevb.38.10007 · Cited by 66 · see citing works
III-V(110) surface dynamics from anab initiofrozen-phonon approach
Schmidt, W. G., Bechstedt, F., & Srivastava, G. P. (1995) · Physical review. B, Condensed matter · doi:10.1103/physrevb.52.2001 · Cited by 60 · see citing works
Self-citationFleischer, K., Chandola, S., Esser, N., et al. (2003) · Physical review. B, Condensed matter · doi:10.1103/physrevb.67.235318 · Cited by 51 · see citing works
Residual stress estimation in ferroelectric PbTiO3 thin films by Raman spectroscopy
Bartasyte, A., Margueron, S. H., Kreisel, J., et al. (2009) · Physical Review B · doi:10.1103/physrevb.79.104104 · Cited by 34 · see citing works
Raman Study of Neutral and Charged Domain Walls in Lithium Niobate
Zelenovskiy, P. S., Shur, V. Y., Bourson, P., Fontana, M. D., Кузнецов, Д. К., & Mingaliev, E. A. (2010) · Ferroelectrics · doi:10.1080/00150193.2010.489810 · Cited by 32 · see citing works
Surface acoustic wave applications of lithium niobate thin films
Lee, T.-C., Lee, J.-T., Robert, M. A., et al. (2003) · Applied Physics Letters · doi:10.1063/1.1534413 · Cited by 30 · see citing works
Raman Probe on PPLN Microstructures
Fontana, M. D., Hammoum, R., Bourson, P., Margueron, S. H., & Shur, V. Y. (2008) · Ferroelectrics · doi:10.1080/00150190802408598 · Cited by 30 · see citing works
Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy
Berth, G., Hahn, W., Wiedemeier, V., et al. (2011) · Ferroelectrics · doi:10.1080/00150193.2011.594774 · Cited by 27 · see citing works
Self-citationAb initiozone-center phonons in LiTaO3: Comparison to LiNbO3
Caciuc, V., & Postnikov, A. V. (2001) · Physical review. B, Condensed matter · doi:10.1103/physrevb.64.224303 · Cited by 20 · see citing works
The effect of Nd and Mg doping on the micro-Raman spectra of LiNbO3single-crystals
Quispe-Siccha, R. M., Mejía-Uriarte, E. V., Villagrán-Muniz, M., et al. (2009) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/21/14/145401 · Cited by 17 · see citing works
Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals
Sanna, S., Riefer, A., Neufeld, S., Schmidt, W. G., Berth, G., Rüsing, M., Widhalm, A., & Zrenner, A. (2013) · Ferroelectrics · doi:10.1080/00150193.2013.821893 · Cited by 13 · see citing works
Self-citationLocalised Phonon Modes at LiNbO3(0001) Surfaces
Sanna, S., Berth, G., Hahn, W., Widhalm, A., Zrenner, A., & Schmidt, W. G. (2011) · Ferroelectrics · doi:10.1080/00150193.2011.594396 · Cited by 12 · see citing works
Self-citationLow frequency E-symmetry phonon modes in LiTaO3: a non-linear temporal domain approach
Gautier, C. A., Merian, M., & Etchepare, J. (2000) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/12/32/302 · Cited by 6 · see citing works
First-principles phonon calculations for LiTaO3
Cohen, R. E. (1994) · Ferroelectrics · doi:10.1080/00150199408016539 · Cited by 3 · see citing works
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Integrated photonics on thin-film lithium niobate
Zhu, D., Shao, L., Yu, M., Cheng, R., Desiatov, B., Xin, C. J., Hu, Y., Holzgrafe, J., Ghosh, S., Shams-Ansari, A., et al. (2021) · Advances in Optics and Photonics · doi:10.1364/aop.411024 · Cited by 1,516 · see citing works
- Authors
- Sanna, S., Neufeld, S., Rüsing, M., Berth, G., Zrenner, A., & Schmidt, W. G.
- Affiliations
- Paderborn University (DE)
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2015-06-05
- Volume
- 91
- Issue
- 22
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2567206267
- Cited by
- 138
- References
- 44
- Citations by year
- 2026: 13 · 2025: 13 · 2024: 17 · 2023: 17 · 2022: 12 · 2021: 18 · 2020: 14 · 2019: 11 · 2018: 9 · 2017: 6 · 2016: 6 · 2015: 1
- FWCI
- 3.73
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Physical Review B (publishedVersion)
- Funders
- Deutsche Forschungsgemeinschaft
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Photorefractive and Nonlinear Optics
- Physical Sciences › Materials Science › Materials Chemistry › Ferroelectric and Piezoelectric Materials
- Physical Sciences › Materials Science › Electronic, Optical and Magnetic Materials › Crystal Structures and Properties
- Keywords
- Raman scattering efficiency, lithium tantalate, lithium niobate, Raman mode assignment, vibration characteristics, phonon eigenvectors, DFT calculations, Raman spectra
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