Europhysics Letters, volume 140, issue 5, pages 56001
Ferroelectric and antiferroelectric distortions coupling of nitride perovskite LaWN3 under epitaxial strain using first-principles calculations
Publication type: Journal Article
Publication date: 2022-12-01
Journal:
Europhysics Letters
Quartile SCImago
Q2
Quartile WOS
Q3
Impact factor: 1.8
ISSN: 02955075, 12864854
General Physics and Astronomy
Abstract
LaWN3, a novel nitride perovskite, have been synthesized and its piezoelectric properties have been investigated (Talley K. R. et al., Science, 374 (2021) 1488). However, the understanding of its ferroelectric properties under the external strain is still lacking. Here, the misfit-strain–dependent coupling between antiferrodistortions (AFD) and ferroelectric (FE) distortions has been studied by using a first-principle approach. It can be observed that AFD and FE distortions can work cooperatively with each other as the compressive strain increases, and the coupling energy between them is found to work in different ways under various strains. Our results show that the coupling tends to stabilize the ground structure when the compressive strain is smaller than −1.9%, it works oppositely when the compressive strain becomes larger than 1.9%. Our results can provide us with more hints about the influence of the epitaxial strains on the intrinsic coupling behavior in the perovskite ferroelectric compounds, which is very important for us to design and fabricate new kinds of functional materials.
Top-30
Citations by journals
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ACS Energy Letters
1 publication, 50%
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Russian Chemical Reviews
1 publication, 50%
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Citations by publishers
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American Chemical Society (ACS)
1 publication, 50%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 50%
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Wang X. et al. Ferroelectric and antiferroelectric distortions coupling of nitride perovskite LaWN3 under epitaxial strain using first-principles calculations // Europhysics Letters. 2022. Vol. 140. No. 5. p. 56001.
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Wang X., Zhu L., Geng W., Lou X. Ferroelectric and antiferroelectric distortions coupling of nitride perovskite LaWN3 under epitaxial strain using first-principles calculations // Europhysics Letters. 2022. Vol. 140. No. 5. p. 56001.
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TY - JOUR
DO - 10.1209/0295-5075/aca42c
UR - https://doi.org/10.1209/0295-5075/aca42c
TI - Ferroelectric and antiferroelectric distortions coupling of nitride perovskite LaWN3 under epitaxial strain using first-principles calculations
T2 - Europhysics Letters
AU - Wang, Xiangjian
AU - Zhu, Linguang
AU - Geng, Wenping
AU - Lou, Xiaojie
PY - 2022
DA - 2022/12/01 00:00:00
PB - IOP Publishing
SP - 56001
IS - 5
VL - 140
SN - 0295-5075
SN - 1286-4854
ER -
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@article{2022_Wang,
author = {Xiangjian Wang and Linguang Zhu and Wenping Geng and Xiaojie Lou},
title = {Ferroelectric and antiferroelectric distortions coupling of nitride perovskite LaWN3 under epitaxial strain using first-principles calculations},
journal = {Europhysics Letters},
year = {2022},
volume = {140},
publisher = {IOP Publishing},
month = {dec},
url = {https://doi.org/10.1209/0295-5075/aca42c},
number = {5},
pages = {56001},
doi = {10.1209/0295-5075/aca42c}
}
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Wang, Xiangjian, et al. “Ferroelectric and antiferroelectric distortions coupling of nitride perovskite LaWN3 under epitaxial strain using first-principles calculations.” Europhysics Letters, vol. 140, no. 5, Dec. 2022, p. 56001. https://doi.org/10.1209/0295-5075/aca42c.