Orientation-dependent ferroelectricity of strained PbTiO${}_3$ films

Abstract

PbTiO${}_3$ is a simple but very important ferroelectric oxide that has been extensively studied and widely used in various technological applications. However, most previous studies and applications were based on the bulk material or the conventional [$001$]-orientated films. There are few studies on PbTiO${}_3$ films grown along other crystalline axes. In this study, a first-principles calculation was performed to compute the polarization of PbTiO${}_3$ films strained by SrTiO${}_3$ and LaAlO${}_3$ substrates. Our results show that the polarization of PbTiO${}_3$ films strongly depends on the growth orientation as well as the monoclinic angles. Further, it is suggested that the ferroelectricity of PbTiO${}_3$ mainly depends on the tetragonality of the lattice, instead of the simple strain.

arXiv comment5 pages, 2 figures, 1 table

References in corpus (12)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Tunneling Electroresistance Induced by Interfacial Phase Transitions in Ultrathin Oxide Heterostructures
• Resonant tunneling in a quantum oxide superlattice
• Quantum-Confinement-Induced Magnetism in LaNiO${}_3$-LaMnO${}_3$ Superlattices
• Charge transfer and hybrid ferroelectricity in (YFeO${}_3$)${}_n$/(YTiO${}_3$)${}_n$ magnetic superlattices
• Computational study of (111) epitaxially strained ferroelectric perovskites BaTiO3 and PbTiO3
• First-principles study of PbTiO${}_3$ under uniaxial strains and stresses
• Epitaxial growth and the magnetic properties of orthorhombic YTiO3 thin films
• Strain-engineered A-type antiferromagnetic order in YTiO${}_3$: a first-principles calculation
• Magnetism and electronic structure of ($001$)- and ($111$)-oriented LaTiO${}_3$ bilayers sandwiched in LaScO${}_3$ barriers
• Orientation-dependent magnetism and orbital structure of strained YTiO${}_3$ films on LaAlO${}_3$ substrates

Cited by in corpus (3)

• Ferroelectric control of spin-polarized two-dimensional electron gas
• Interfacial Phase Competition Induced Kondo-like Effect in Manganite-insulator Composites
• Possible ferrimagnetism and ferroelectricity of half-substituted rare-earth titanate: a first-principles study on Y${}_{0.5}$La${}_{0.5}$TiO${}_3$