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

Zhanfang Li, Tianquan Lü, Wenwu Cao

Research output: Chapter in Book/Report/Conference proceedingConference 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 languageEnglish (US)
Title of host publication2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009
DOIs
StatePublished - 2009
Event2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009 - Xian, China
Duration: Aug 23 2009Aug 27 2009

Other

Other2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009
CountryChina
CityXian
Period8/23/098/27/09

Fingerprint

Permittivity
Polarization
Local density approximation
Phase boundaries
Density functional theory
Crystal structure
Phase transitions
sodium niobate

All Science Journal Classification (ASJC) codes

  • Electrical and Electronic Engineering
  • Electronic, Optical and Magnetic Materials

Cite this

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] https://doi.org/10.1109/ISAF.2009.5307525
Li, Zhanfang ; Lü, Tianquan ; Cao, Wenwu. / Study epitaxially strained KNbO3/NaNbO3 superlattice using first-principle's calculations. 2009 18th IEEE International Symposium on the Applications of Ferroelectrics, ISAF 2009. 2009.
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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.",
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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, 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.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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