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

All Science Journal Classification (ASJC) codes

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

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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] https://doi.org/10.1109/ISAF.2009.5307525