Open Access
Frustrated octahedral tilting distortion in the incommensurately modulated Li3x Nd2/3-x TiO3 perovskites
Rolf Erni
2
,
A. A. Tsirlin
3
,
Marta Rossell
2
,
Dmitry Batuk
1
,
Gwilherm Nenert
4
,
Gustaaf Van Tendeloo
1
Publication type: Journal Article
Publication date: 2013-06-18
scimago Q1
wos Q1
SJR: 2.065
CiteScore: 12.0
Impact factor: 7.0
ISSN: 08974756, 15205002
Materials Chemistry
General Chemistry
General Chemical Engineering
Abstract
Perovskite-structured titanates with layered A-site ordering form remarkably complex superstructures. Using transmission electron microscopy, synchrotron X-ray and neutron powder diffraction, and ab initio structure relaxation, we present the structural solution of the incommensurately modulated Li3xNd2/3–xTiO3 perovskites (x = 0.05, superspace group Pmmm(α1,1/2,0)000(1/2,β2 0)000, a = 3.831048(5) A, b = 3.827977(4) A, c = 7.724356(8) A, q1 = 0.45131(8)a* + 1/2b*, q2 = 1/2a* + 0.41923(4)b*). In contrast to earlier conjectures on the nanoscale compositional phase separation in these materials, all peculiarities of the superstructure can be understood in terms of displacive modulations related to an intricate octahedral tilting pattern. It involves fragmenting the pattern of the out-of-phase tilted TiO6 octahedra around the a- and b-axes into antiphase domains, superimposed on the pattern of domains with either pronounced or suppressed in-phase tilt component around the c-axis. The octahedral tilting compet...
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41
Total citations:
41
Citations from 2024:
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(14%)
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GOST
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Abakumov A. M. et al. Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites // Chemistry of Materials. 2013. Vol. 25. No. 13. pp. 2670-2683.
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Abakumov A. M., Erni R., Tsirlin A. A., Rossell M., Batuk D., Nenert G., Tendeloo G. V. Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites // Chemistry of Materials. 2013. Vol. 25. No. 13. pp. 2670-2683.
Cite this
RIS
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TY - JOUR
DO - 10.1021/cm4012052
UR - https://doi.org/10.1021/cm4012052
TI - Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites
T2 - Chemistry of Materials
AU - Abakumov, Artem M.
AU - Erni, Rolf
AU - Tsirlin, A. A.
AU - Rossell, Marta
AU - Batuk, Dmitry
AU - Nenert, Gwilherm
AU - Tendeloo, Gustaaf Van
PY - 2013
DA - 2013/06/18
PB - American Chemical Society (ACS)
SP - 2670-2683
IS - 13
VL - 25
SN - 0897-4756
SN - 1520-5002
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2013_Abakumov,
author = {Artem M. Abakumov and Rolf Erni and A. A. Tsirlin and Marta Rossell and Dmitry Batuk and Gwilherm Nenert and Gustaaf Van Tendeloo},
title = {Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites},
journal = {Chemistry of Materials},
year = {2013},
volume = {25},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://doi.org/10.1021/cm4012052},
number = {13},
pages = {2670--2683},
doi = {10.1021/cm4012052}
}
Cite this
MLA
Copy
Abakumov, Artem M., et al. “Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites.” Chemistry of Materials, vol. 25, no. 13, Jun. 2013, pp. 2670-2683. https://doi.org/10.1021/cm4012052.
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