---
_id: '13520'
abstract:
- lang: eng
text: Atomistic simulations in the framework of the density functional theory have
been used to model morphologic and vibrational properties of lithium niobate–lithium
tantalate mixed crystals as a function of the [Nb]/[Ta] ratio. Structural parameters
such as the crystal volume and the lattice parameters a and c vary roughly linearly
from LiTaO3 to LiNbO3, showing only minor deviations from the Vegard behavior.
Our ab initio calculations demonstrate that the TO1, TO2 and TO4 vibrational modes
become harder with increasing Nb concentration. TO3 becomes softer with increasing
Nb content, instead. Furthermore, the investigated zone center A1 -TO phonon modes
are characterized by a pronounced stoichiometry dependence. Frequency shifts as
large as 30 cm−1 are expected as the [Nb]/[Ta] ratio grows from 0 to 1. Therefore,
spectroscopic techniques sensitive to the A1 modes (such as Raman spectroscopy),
can be employed for a direct and non-destructive determination of the crystal
composition.
author:
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: A.
full_name: Riefer, A.
last_name: Riefer
- first_name: Sergej
full_name: Neufeld, Sergej
id: '23261'
last_name: Neufeld
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: A.
full_name: Widhalm, A.
last_name: Widhalm
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
citation:
ama: Sanna S, Riefer A, Neufeld S, et al. Vibrational Fingerprints of LiNbO3-LiTaO3Mixed
Crystals. Ferroelectrics. 2013;447(1):63-68. doi:10.1080/00150193.2013.821893
apa: Sanna, S., Riefer, A., Neufeld, S., Schmidt, W. G., Berth, G., Rüsing, M.,
Widhalm, A., & Zrenner, A. (2013). Vibrational Fingerprints of LiNbO3-LiTaO3Mixed
Crystals. Ferroelectrics, 447(1), 63–68. https://doi.org/10.1080/00150193.2013.821893
bibtex: '@article{Sanna_Riefer_Neufeld_Schmidt_Berth_Rüsing_Widhalm_Zrenner_2013,
title={Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals}, volume={447},
DOI={10.1080/00150193.2013.821893},
number={1}, journal={Ferroelectrics}, author={Sanna, Simone and Riefer, A. and
Neufeld, Sergej and Schmidt, Wolf Gero and Berth, Gerhard and Rüsing, Michael
and Widhalm, A. and Zrenner, Artur}, year={2013}, pages={63–68} }'
chicago: 'Sanna, Simone, A. Riefer, Sergej Neufeld, Wolf Gero Schmidt, Gerhard Berth,
Michael Rüsing, A. Widhalm, and Artur Zrenner. “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed
Crystals.” Ferroelectrics 447, no. 1 (2013): 63–68. https://doi.org/10.1080/00150193.2013.821893.'
ieee: 'S. Sanna et al., “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals,”
Ferroelectrics, vol. 447, no. 1, pp. 63–68, 2013, doi: 10.1080/00150193.2013.821893.'
mla: Sanna, Simone, et al. “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals.”
Ferroelectrics, vol. 447, no. 1, 2013, pp. 63–68, doi:10.1080/00150193.2013.821893.
short: S. Sanna, A. Riefer, S. Neufeld, W.G. Schmidt, G. Berth, M. Rüsing, A. Widhalm,
A. Zrenner, Ferroelectrics 447 (2013) 63–68.
date_created: 2019-09-30T13:50:40Z
date_updated: 2023-10-09T08:22:10Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
doi: 10.1080/00150193.2013.821893
intvolume: ' 447'
issue: '1'
keyword:
- Ferroelectrics
- vibrational properties
- LiNbO3
- LiTaO3
- mixed crystals
language:
- iso: eng
page: 63-68
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Ferroelectrics
publication_identifier:
issn:
- 0015-0193
- 1563-5112
publication_status: published
status: public
title: Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals
type: journal_article
user_id: '14931'
volume: 447
year: '2013'
...
---
_id: '4380'
abstract:
- lang: eng
text: The structural and vibrational properties of lithium niobate (LN) – lithium
tantalate (LT) mixed crystals (LNT, LiNb1-xTaxO3) are investigated over the whole
composition range by first-principles simulations. The crystal volume grows roughly
linearly from LT to LN, whereby the lattice parameters a and c show minor deviations
from the Vegard behavior between the end compounds, LiNbO3 and LiTaO3. Our calculations
in the framework of the density functional theory show the TO1, TO2 and TO4-modes
to become harder with increasing Nb concentration. TO3 becomes softer with increasing
Nb content, instead. The frequency shifts of the zone center A1-TO phonon modes
for crystals with different compositions are found to be as large as 30 cm-1.
Raman spectroscopy, which is sensitive to the A1 modes, can be therefore employed
to determine the crystal composition.
author:
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Arthur
full_name: Riefer, Arthur
last_name: Riefer
- first_name: Sergej
full_name: Neufeld, Sergej
last_name: Neufeld
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
last_name: Schmidt
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Alex
full_name: Widhalm, Alex
last_name: Widhalm
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
citation:
ama: 'Sanna S, Riefer A, Neufeld S, et al. Vibrational fingerprints of LiNbO3-LiTaO3
mixed crystals. In: Proceedings of ISAF-ECAPD-PFM 2012. ; 2012.'
apa: Sanna, S., Riefer, A., Neufeld, S., Schmidt, W. G., Berth, G., Widhalm, A.,
& Zrenner, A. (2012). Vibrational fingerprints of LiNbO3-LiTaO3 mixed crystals.
In Proceedings of ISAF-ECAPD-PFM 2012. Aveiro, Portugal.
bibtex: '@inproceedings{Sanna_Riefer_Neufeld_Schmidt_Berth_Widhalm_Zrenner_2012,
title={Vibrational fingerprints of LiNbO3-LiTaO3 mixed crystals}, booktitle={Proceedings
of ISAF-ECAPD-PFM 2012}, author={Sanna, Simone and Riefer, Arthur and Neufeld,
Sergej and Schmidt, Wolf Gero and Berth, Gerhard and Widhalm, Alex and Zrenner,
Artur}, year={2012} }'
chicago: Sanna, Simone, Arthur Riefer, Sergej Neufeld, Wolf Gero Schmidt, Gerhard
Berth, Alex Widhalm, and Artur Zrenner. “Vibrational Fingerprints of LiNbO3-LiTaO3
Mixed Crystals.” In Proceedings of ISAF-ECAPD-PFM 2012, 2012.
ieee: S. Sanna et al., “Vibrational fingerprints of LiNbO3-LiTaO3 mixed crystals,”
in Proceedings of ISAF-ECAPD-PFM 2012, Aveiro, Portugal, 2012.
mla: Sanna, Simone, et al. “Vibrational Fingerprints of LiNbO3-LiTaO3 Mixed Crystals.”
Proceedings of ISAF-ECAPD-PFM 2012, 2012.
short: 'S. Sanna, A. Riefer, S. Neufeld, W.G. Schmidt, G. Berth, A. Widhalm, A.
Zrenner, in: Proceedings of ISAF-ECAPD-PFM 2012, 2012.'
conference:
end_date: 2012-07-13
location: Aveiro, Portugal
name: 2012 INTERNATIONAL SYMPOSIUM ON APPLICATIONS OF FERROELECTRICS HELD JOINTLY
WITH 11TH IEEE ECAPD AND IEEE PFM (ISAF/ECAPD/PFM)
start_date: 2012-07-09
date_created: 2018-09-12T14:32:09Z
date_updated: 2022-01-06T07:01:00Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
keyword:
- Ferroelectrics
- Vibrational properties
- LiNbO3
- LiTaO3
- Mixed Crystals
publication: Proceedings of ISAF-ECAPD-PFM 2012
status: public
title: Vibrational fingerprints of LiNbO3-LiTaO3 mixed crystals
type: conference
user_id: '49428'
year: '2012'
...
---
_id: '4377'
abstract:
- lang: eng
text: Confocal Raman spectroscopy was performed as an archetype imaging method to
study the ferroelectric domain structure of periodically poled lithium niobate.
More precisely, the linkage out of spatial resolution and spectral information
proved itself as very useful. Here a specific modulation of the Raman lines by
the local variation of polarity and a non-symmetric measuring-signal across the
domain structure were found, which allows for imaging of domain boundaries as
well as oppositely orientated domains. The high potential of this method is demonstrated
by the visualization of the ferroelectric domain structures based on various phonon
modes.
article_type: original
author:
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Wjatscheslaw
full_name: Hahn, Wjatscheslaw
last_name: Hahn
- first_name: Volker
full_name: Wiedemeier, Volker
last_name: Wiedemeier
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
last_name: Schmidt
citation:
ama: Berth G, Hahn W, Wiedemeier V, Zrenner A, Sanna S, Schmidt WG. Imaging of the
Ferroelectric Domain Structures by Confocal Raman Spectroscopy. Ferroelectrics.
2011;420(1):44-48. doi:10.1080/00150193.2011.594774
apa: Berth, G., Hahn, W., Wiedemeier, V., Zrenner, A., Sanna, S., & Schmidt,
W. G. (2011). Imaging of the Ferroelectric Domain Structures by Confocal Raman
Spectroscopy. Ferroelectrics, 420(1), 44–48. https://doi.org/10.1080/00150193.2011.594774
bibtex: '@article{Berth_Hahn_Wiedemeier_Zrenner_Sanna_Schmidt_2011, title={Imaging
of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy}, volume={420},
DOI={10.1080/00150193.2011.594774},
number={1}, journal={Ferroelectrics}, publisher={Informa UK Limited}, author={Berth,
Gerhard and Hahn, Wjatscheslaw and Wiedemeier, Volker and Zrenner, Artur and Sanna,
Simone and Schmidt, Wolf Gero}, year={2011}, pages={44–48} }'
chicago: 'Berth, Gerhard, Wjatscheslaw Hahn, Volker Wiedemeier, Artur Zrenner, Simone
Sanna, and Wolf Gero Schmidt. “Imaging of the Ferroelectric Domain Structures
by Confocal Raman Spectroscopy.” Ferroelectrics 420, no. 1 (2011): 44–48.
https://doi.org/10.1080/00150193.2011.594774.'
ieee: G. Berth, W. Hahn, V. Wiedemeier, A. Zrenner, S. Sanna, and W. G. Schmidt,
“Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy,”
Ferroelectrics, vol. 420, no. 1, pp. 44–48, 2011.
mla: Berth, Gerhard, et al. “Imaging of the Ferroelectric Domain Structures by Confocal
Raman Spectroscopy.” Ferroelectrics, vol. 420, no. 1, Informa UK Limited,
2011, pp. 44–48, doi:10.1080/00150193.2011.594774.
short: G. Berth, W. Hahn, V. Wiedemeier, A. Zrenner, S. Sanna, W.G. Schmidt, Ferroelectrics
420 (2011) 44–48.
date_created: 2018-09-11T14:10:35Z
date_updated: 2022-01-06T07:01:00Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
doi: 10.1080/00150193.2011.594774
intvolume: ' 420'
issue: '1'
keyword:
- Raman spectroscopy
- ferroelectric domains
- LiNbO3
- confocal imaging
language:
- iso: eng
page: 44-48
publication: Ferroelectrics
publication_identifier:
issn:
- 0015-0193
- 1563-5112
publication_status: published
publisher: Informa UK Limited
status: public
title: Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy
type: journal_article
user_id: '49428'
volume: 420
year: '2011'
...
---
_id: '4553'
abstract:
- lang: eng
text: We present results on ferroelectric micro-domains obtained by confocal second
harmonic microscopy. The high potential of this technique is demonstrated by imaging
periodic ferroelectric domain structures in the surface of planar X-cut lithium
niobate (LN) and in the body of ridges fabricated by plasma etching on X-cut LN
as well. In both cases the measured second harmonic signal reveals a strong contrast
between inverted and non-inverted domain sections. This enabled a depth-resolved
non-destructive tomography of micro-domains in ridge structures in all three dimensions.
article_type: original
author:
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Volker
full_name: Wiedemeier, Volker
last_name: Wiedemeier
- first_name: Klaus-Peter
full_name: Hüsch, Klaus-Peter
last_name: Hüsch
- first_name: Li
full_name: Gui, Li
last_name: Gui
- first_name: Hui
full_name: Hu, Hui
last_name: Hu
- first_name: Wolfgang
full_name: Sohler, Wolfgang
last_name: Sohler
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
citation:
ama: Berth G, Wiedemeier V, Hüsch K-P, et al. Imaging of Ferroelectric Micro-Domains
in X-Cut Lithium Niobate by Confocal Second Harmonic Microscopy. Ferroelectrics.
2009;389(1):132-141. doi:10.1080/00150190902993267
apa: Berth, G., Wiedemeier, V., Hüsch, K.-P., Gui, L., Hu, H., Sohler, W., &
Zrenner, A. (2009). Imaging of Ferroelectric Micro-Domains in X-Cut Lithium Niobate
by Confocal Second Harmonic Microscopy. Ferroelectrics, 389(1),
132–141. https://doi.org/10.1080/00150190902993267
bibtex: '@article{Berth_Wiedemeier_Hüsch_Gui_Hu_Sohler_Zrenner_2009, title={Imaging
of Ferroelectric Micro-Domains in X-Cut Lithium Niobate by Confocal Second Harmonic
Microscopy}, volume={389}, DOI={10.1080/00150190902993267},
number={1}, journal={Ferroelectrics}, publisher={Informa UK Limited}, author={Berth,
Gerhard and Wiedemeier, Volker and Hüsch, Klaus-Peter and Gui, Li and Hu, Hui
and Sohler, Wolfgang and Zrenner, Artur}, year={2009}, pages={132–141} }'
chicago: 'Berth, Gerhard, Volker Wiedemeier, Klaus-Peter Hüsch, Li Gui, Hui Hu,
Wolfgang Sohler, and Artur Zrenner. “Imaging of Ferroelectric Micro-Domains in
X-Cut Lithium Niobate by Confocal Second Harmonic Microscopy.” Ferroelectrics
389, no. 1 (2009): 132–41. https://doi.org/10.1080/00150190902993267.'
ieee: G. Berth et al., “Imaging of Ferroelectric Micro-Domains in X-Cut Lithium
Niobate by Confocal Second Harmonic Microscopy,” Ferroelectrics, vol. 389,
no. 1, pp. 132–141, 2009.
mla: Berth, Gerhard, et al. “Imaging of Ferroelectric Micro-Domains in X-Cut Lithium
Niobate by Confocal Second Harmonic Microscopy.” Ferroelectrics, vol. 389,
no. 1, Informa UK Limited, 2009, pp. 132–41, doi:10.1080/00150190902993267.
short: G. Berth, V. Wiedemeier, K.-P. Hüsch, L. Gui, H. Hu, W. Sohler, A. Zrenner,
Ferroelectrics 389 (2009) 132–141.
date_created: 2018-09-20T12:54:14Z
date_updated: 2022-01-06T07:01:09Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
doi: 10.1080/00150190902993267
intvolume: ' 389'
issue: '1'
keyword:
- Nonlinear microscopy
- ferroelectric micro-domains
- confocal imaging
- LiNbO3
language:
- iso: eng
page: 132-141
publication: Ferroelectrics
publication_identifier:
issn:
- 0015-0193
- 1563-5112
publication_status: published
publisher: Informa UK Limited
status: public
title: Imaging of Ferroelectric Micro-Domains in X-Cut Lithium Niobate by Confocal
Second Harmonic Microscopy
type: journal_article
user_id: '49428'
volume: 389
year: '2009'
...