Phase transition and ferroelectric properties of epitaxially strained KNbO3/NaNbO3 superlattice

Zhanfang Li, Tianquan Lü, Wenwu Cao

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

The influence of epitaxial strain on the crystal structure and polarization of KNbO3/NaNbO3 (KNO/NNO) superlattice has been quantified using density functional theory based on pseudopotential and plane-wave basis. A sequence of structural phase transitions with changing the in-plane misfit strain has been identified. If the compressive strain is more than -0.8%, tetragonal phase with polarization along [001] is stable. For the misfit strain between -0.8% and 0.36%, the stable phase is monoclinic while the stable phase becomes orthorhombic with polarization along [110] when the tensile strain is more than 0.36%. The spontaneous polarization in the orthorhombic phase reaches more than 70 μC/ cm2.

Original languageEnglish (US)
Article number126106
JournalJournal of Applied Physics
Volume104
Issue number12
DOIs
StatePublished - Dec 1 2008

Fingerprint

polarization
plane strain
pseudopotentials
plane waves
density functional theory
crystal structure

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

@article{212f08fa87bf4d2e840cc5ef8e64dfa4,
title = "Phase transition and ferroelectric properties of epitaxially strained KNbO3/NaNbO3 superlattice",
abstract = "The influence of epitaxial strain on the crystal structure and polarization of KNbO3/NaNbO3 (KNO/NNO) superlattice has been quantified using density functional theory based on pseudopotential and plane-wave basis. A sequence of structural phase transitions with changing the in-plane misfit strain has been identified. If the compressive strain is more than -0.8{\%}, tetragonal phase with polarization along [001] is stable. For the misfit strain between -0.8{\%} and 0.36{\%}, the stable phase is monoclinic while the stable phase becomes orthorhombic with polarization along [110] when the tensile strain is more than 0.36{\%}. The spontaneous polarization in the orthorhombic phase reaches more than 70 μC/ cm2.",
author = "Zhanfang Li and Tianquan L{\"u} and Wenwu Cao",
year = "2008",
month = "12",
day = "1",
doi = "10.1063/1.3053148",
language = "English (US)",
volume = "104",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics Publising LLC",
number = "12",

}

Phase transition and ferroelectric properties of epitaxially strained KNbO3/NaNbO3 superlattice. / Li, Zhanfang; Lü, Tianquan; Cao, Wenwu.

In: Journal of Applied Physics, Vol. 104, No. 12, 126106, 01.12.2008.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Phase transition and ferroelectric properties of epitaxially strained KNbO3/NaNbO3 superlattice

AU - Li, Zhanfang

AU - Lü, Tianquan

AU - Cao, Wenwu

PY - 2008/12/1

Y1 - 2008/12/1

N2 - The influence of epitaxial strain on the crystal structure and polarization of KNbO3/NaNbO3 (KNO/NNO) superlattice has been quantified using density functional theory based on pseudopotential and plane-wave basis. A sequence of structural phase transitions with changing the in-plane misfit strain has been identified. If the compressive strain is more than -0.8%, tetragonal phase with polarization along [001] is stable. For the misfit strain between -0.8% and 0.36%, the stable phase is monoclinic while the stable phase becomes orthorhombic with polarization along [110] when the tensile strain is more than 0.36%. The spontaneous polarization in the orthorhombic phase reaches more than 70 μC/ cm2.

AB - The influence of epitaxial strain on the crystal structure and polarization of KNbO3/NaNbO3 (KNO/NNO) superlattice has been quantified using density functional theory based on pseudopotential and plane-wave basis. A sequence of structural phase transitions with changing the in-plane misfit strain has been identified. If the compressive strain is more than -0.8%, tetragonal phase with polarization along [001] is stable. For the misfit strain between -0.8% and 0.36%, the stable phase is monoclinic while the stable phase becomes orthorhombic with polarization along [110] when the tensile strain is more than 0.36%. The spontaneous polarization in the orthorhombic phase reaches more than 70 μC/ cm2.

UR - http://www.scopus.com/inward/record.url?scp=58149250568&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=58149250568&partnerID=8YFLogxK

U2 - 10.1063/1.3053148

DO - 10.1063/1.3053148

M3 - Article

VL - 104

JO - Journal of Applied Physics

JF - Journal of Applied Physics

SN - 0021-8979

IS - 12

M1 - 126106

ER -