Strain-induced non-linear optical characteristics of pyroelectric PbVO_3 epitaxial thin films

Oh, So-Young; Shin, Hyunik; Yoon, Seokhyun; Ahn, J. S.; Cha, Janghwan; Hong, Suklyun; Kang, Sung Jin; Kim, Miyoung; Choi, Sukgeun; Roh, Changjae; Lee, Jong-Seok; Jo, William

doi:10.1364/ome.7.000062

Cited by 5 publications

(1 citation statement)

References 29 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The PbVO 3 (PVO) compound has been the subject of recent experimental and computational studies due to its potential for exhibiting magneto-electric coupling. Under pressure and in epitaxially strained thin films, , PVO has been reported to form in perovskite-derivative structures that are not observed under ambient conditions. These pressure- and strain-stabilized structures are observed to display a weak vanadyl short bond, square-pyramidal vanadium coordination, and super tetragonality.…”

Section: Introductionmentioning

confidence: 99%

Electronic and Polar Properties of Vanadate Compounds Stabilized by Epitaxial Strain

2018

View full text Add to dashboard Cite

Recent experimental and computational studies have demonstrated pressure and epitaxial stabilization of polar PbVO 3 phases with perovskite-derivative crystal structures. In this study, we demonstrate, by density functional theory (DFT) calculations, the stability of similar perovskite-derivative structures in the KVO 3 and NaVO 3 systems when subjected to compressive biaxial strain. The electronic structure and polar properties of these compounds are computed as a function of biaxial strain, and the results are compared to those obtained for experimentally observed PbVO 3 structures. It is demonstrated that the substitution of Pb with monovalent K or Na cations increases the strength of the vanadyl bond due to the removal of the spatially extended Pb 6p states. Both KVO 3 and NaVO 3 exhibit epitaxially stabilized perovskite-derivative phases having large polarizations and only small total energy increases relative to their unstrained bulk structures. The calculated epitaxial phase diagram for KVO 3 predicts a strain-energy driving force for a phase separation from −4% to 1.5% misfit strain into a polar Cm phase, having square-pyramidal coordination of the B-site, and a paraelectric Pbcm phase, having tetrahedral coordination of the B-site. The results show that strain-stabilized polar vanadate compounds may occur for other compositions in addition to PbVO 3 and that changes in the A-site species can be used to tune bonding, structure, and functional properties in these systems.

show abstract

Section: Introductionmentioning

confidence: 99%

Electronic and Polar Properties of Vanadate Compounds Stabilized by Epitaxial Strain

2018

View full text Add to dashboard Cite

show abstract

Remarkably Low Oxygen Evolution Reaction Overpotentials using Two-Dimensional Ternary Vanadium Compounds

Sial

Ali

Waqas

et al. 2023

Applied Surface Science

View full text Add to dashboard Cite

Strain engineering of optical properties in transparent VO₂/muscovite heterostructures

Chen

Li²,

Hao³

et al. 2021

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

Strain-induced non-linear optical characteristics of pyroelectric PbVO_3 epitaxial thin films

Cited by 5 publications

References 29 publications

Electronic and Polar Properties of Vanadate Compounds Stabilized by Epitaxial Strain

Electronic and Polar Properties of Vanadate Compounds Stabilized by Epitaxial Strain

Remarkably Low Oxygen Evolution Reaction Overpotentials using Two-Dimensional Ternary Vanadium Compounds

Strain engineering of optical properties in transparent VO₂/muscovite heterostructures

Contact Info

Product

Resources

About

Strain-induced non-linear optical characteristics of pyroelectric PbVO_3 epitaxial thin films

Cited by 5 publications

References 29 publications

Electronic and Polar Properties of Vanadate Compounds Stabilized by Epitaxial Strain

Electronic and Polar Properties of Vanadate Compounds Stabilized by Epitaxial Strain

Remarkably Low Oxygen Evolution Reaction Overpotentials using Two-Dimensional Ternary Vanadium Compounds

Strain engineering of optical properties in transparent VO2/muscovite heterostructures

Contact Info

Product

Resources

About

Strain engineering of optical properties in transparent VO₂/muscovite heterostructures