Study epitaxially strained KNbO3/NaNbO3 superlattice using first-principle's calculations

Zhanfang Li; Tianquan Lü; Wenwu Cao

doi:10.1109/ISAF.2009.5307525

Study epitaxially strained KNbO₃/NaNbO₃ superlattice using first-principle's calculations

Zhanfang Li, Tianquan Lü, Wenwu Cao

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

The changes of crystal structure, zone-center phonon, polarization and dielectric constant with epitaxial strain in KNbO₃/NaNbO₃ (KNO/NNO) superlattice have been studied using density functional theory (DFT) within the local-density approximation (LDA). Strain induced structural phase transitions have been identified from tetragonal to monoclinic then to orthorhombic when the in plane misfit strain changes from -1.25% to -0.1%. The polarization amplitude is the highest in the orthorhombic phase, reaching more than 70μC/cm², and the dielectric constant peaks at the phase boundaries.

Original language	English (US)
Title of host publication	2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009
DOIs	https://doi.org/10.1109/ISAF.2009.5307525
State	Published - 2009
Event	2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009 - Xian, China Duration: Aug 23 2009 → Aug 27 2009

Publication series

Name	IEEE International Symposium on Applications of Ferroelectrics

Other

Other	2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009
Country/Territory	China
City	Xian
Period	8/23/09 → 8/27/09

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Electrical and Electronic Engineering

Access to Document

10.1109/ISAF.2009.5307525

Cite this

@inproceedings{f8bd918245b34e80a859be2515898531,

title = "Study epitaxially strained KNbO3/NaNbO3 superlattice using first-principle's calculations",

abstract = "The changes of crystal structure, zone-center phonon, polarization and dielectric constant with epitaxial strain in KNbO3/NaNbO3 (KNO/NNO) superlattice have been studied using density functional theory (DFT) within the local-density approximation (LDA). Strain induced structural phase transitions have been identified from tetragonal to monoclinic then to orthorhombic when the in plane misfit strain changes from -1.25% to -0.1%. The polarization amplitude is the highest in the orthorhombic phase, reaching more than 70μC/cm2, and the dielectric constant peaks at the phase boundaries.",

author = "Zhanfang Li and Tianquan L{\"u} and Wenwu Cao",

year = "2009",

doi = "10.1109/ISAF.2009.5307525",

language = "English (US)",

isbn = "9781424449699",

series = "IEEE International Symposium on Applications of Ferroelectrics",

booktitle = "2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009",

note = "2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009 ; Conference date: 23-08-2009 Through 27-08-2009",

}

Li, Z, Lü, T & Cao, W 2009, Study epitaxially strained KNbO₃/NaNbO₃ superlattice using first-principle's calculations. in 2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009., 5307525, IEEE International Symposium on Applications of Ferroelectrics, 2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009, Xian, China, 8/23/09. https://doi.org/10.1109/ISAF.2009.5307525

Study epitaxially strained KNbO₃/NaNbO₃ superlattice using first-principle's calculations. / Li, Zhanfang; Lü, Tianquan; Cao, Wenwu.

2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009. 2009. 5307525 (IEEE International Symposium on Applications of Ferroelectrics).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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N2 - The changes of crystal structure, zone-center phonon, polarization and dielectric constant with epitaxial strain in KNbO3/NaNbO3 (KNO/NNO) superlattice have been studied using density functional theory (DFT) within the local-density approximation (LDA). Strain induced structural phase transitions have been identified from tetragonal to monoclinic then to orthorhombic when the in plane misfit strain changes from -1.25% to -0.1%. The polarization amplitude is the highest in the orthorhombic phase, reaching more than 70μC/cm2, and the dielectric constant peaks at the phase boundaries.

AB - The changes of crystal structure, zone-center phonon, polarization and dielectric constant with epitaxial strain in KNbO3/NaNbO3 (KNO/NNO) superlattice have been studied using density functional theory (DFT) within the local-density approximation (LDA). Strain induced structural phase transitions have been identified from tetragonal to monoclinic then to orthorhombic when the in plane misfit strain changes from -1.25% to -0.1%. The polarization amplitude is the highest in the orthorhombic phase, reaching more than 70μC/cm2, and the dielectric constant peaks at the phase boundaries.

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