Shape of ferroelectric domains in LiNbO3 and LiTaO3 from defect/domain-wall interactions

Donghwa Lee, Haixuan Xu, Volkmar Dierolf, Venkatraman Gopalan, Simon R. Phillpot

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

The observed orientations and shapes of ferroelectric domains in stoichiometric and congruent LiTaO3 and LiNbO3 are explained in terms of the differences in the energetics of domain walls, and the energetics of defect/domain-wall interactions. Density functional theory calculations show that the energy of a Y-wall, parallel to (1120), is lower than that of the X-walls, parallel to (1010), in both stoichiometric LiNbO 3 and LiTaO3. As a result the domains are hexagonal and delineated by Y-walls. In congruent LiTaO3, the interaction of antisite defects with domains walls can reverse this order of stability, leading to triangular domains delineated by one type of X-wall. In congruent LiNbO 3, the interactions of the antisite defects with the domain walls are too weak to reverse the order of stability of the domains walls; as a result the domains remain hexagonal.

Original languageEnglish (US)
Article number092903
JournalApplied Physics Letters
Volume98
Issue number9
DOIs
StatePublished - Feb 28 2011

Fingerprint

domain wall
defects
antisite defects
interactions
density functional theory
energy

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

Cite this

Lee, Donghwa ; Xu, Haixuan ; Dierolf, Volkmar ; Gopalan, Venkatraman ; Phillpot, Simon R. / Shape of ferroelectric domains in LiNbO3 and LiTaO3 from defect/domain-wall interactions. In: Applied Physics Letters. 2011 ; Vol. 98, No. 9.
@article{42dc62dbdcfd4fffacfe82d8cc195612,
title = "Shape of ferroelectric domains in LiNbO3 and LiTaO3 from defect/domain-wall interactions",
abstract = "The observed orientations and shapes of ferroelectric domains in stoichiometric and congruent LiTaO3 and LiNbO3 are explained in terms of the differences in the energetics of domain walls, and the energetics of defect/domain-wall interactions. Density functional theory calculations show that the energy of a Y-wall, parallel to (1120), is lower than that of the X-walls, parallel to (1010), in both stoichiometric LiNbO 3 and LiTaO3. As a result the domains are hexagonal and delineated by Y-walls. In congruent LiTaO3, the interaction of antisite defects with domains walls can reverse this order of stability, leading to triangular domains delineated by one type of X-wall. In congruent LiNbO 3, the interactions of the antisite defects with the domain walls are too weak to reverse the order of stability of the domains walls; as a result the domains remain hexagonal.",
author = "Donghwa Lee and Haixuan Xu and Volkmar Dierolf and Venkatraman Gopalan and Phillpot, {Simon R.}",
year = "2011",
month = "2",
day = "28",
doi = "10.1063/1.3560343",
language = "English (US)",
volume = "98",
journal = "Applied Physics Letters",
issn = "0003-6951",
publisher = "American Institute of Physics Publising LLC",
number = "9",

}

Shape of ferroelectric domains in LiNbO3 and LiTaO3 from defect/domain-wall interactions. / Lee, Donghwa; Xu, Haixuan; Dierolf, Volkmar; Gopalan, Venkatraman; Phillpot, Simon R.

In: Applied Physics Letters, Vol. 98, No. 9, 092903, 28.02.2011.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Shape of ferroelectric domains in LiNbO3 and LiTaO3 from defect/domain-wall interactions

AU - Lee, Donghwa

AU - Xu, Haixuan

AU - Dierolf, Volkmar

AU - Gopalan, Venkatraman

AU - Phillpot, Simon R.

PY - 2011/2/28

Y1 - 2011/2/28

N2 - The observed orientations and shapes of ferroelectric domains in stoichiometric and congruent LiTaO3 and LiNbO3 are explained in terms of the differences in the energetics of domain walls, and the energetics of defect/domain-wall interactions. Density functional theory calculations show that the energy of a Y-wall, parallel to (1120), is lower than that of the X-walls, parallel to (1010), in both stoichiometric LiNbO 3 and LiTaO3. As a result the domains are hexagonal and delineated by Y-walls. In congruent LiTaO3, the interaction of antisite defects with domains walls can reverse this order of stability, leading to triangular domains delineated by one type of X-wall. In congruent LiNbO 3, the interactions of the antisite defects with the domain walls are too weak to reverse the order of stability of the domains walls; as a result the domains remain hexagonal.

AB - The observed orientations and shapes of ferroelectric domains in stoichiometric and congruent LiTaO3 and LiNbO3 are explained in terms of the differences in the energetics of domain walls, and the energetics of defect/domain-wall interactions. Density functional theory calculations show that the energy of a Y-wall, parallel to (1120), is lower than that of the X-walls, parallel to (1010), in both stoichiometric LiNbO 3 and LiTaO3. As a result the domains are hexagonal and delineated by Y-walls. In congruent LiTaO3, the interaction of antisite defects with domains walls can reverse this order of stability, leading to triangular domains delineated by one type of X-wall. In congruent LiNbO 3, the interactions of the antisite defects with the domain walls are too weak to reverse the order of stability of the domains walls; as a result the domains remain hexagonal.

UR - http://www.scopus.com/inward/record.url?scp=79952418380&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=79952418380&partnerID=8YFLogxK

U2 - 10.1063/1.3560343

DO - 10.1063/1.3560343

M3 - Article

AN - SCOPUS:79952418380

VL - 98

JO - Applied Physics Letters

JF - Applied Physics Letters

SN - 0003-6951

IS - 9

M1 - 092903

ER -