Interface effect on the magnitude and stability of ferroelectric polarization in ultrathin PbTiO3 films from first-principles study

Abstract

The effect of the top electrode interface on the hysteretic behavior of epitaxial ferroelectric Pb(Zr,Ti)O3 thin films with bottom SrRuO3 electrode J. Appl. Phys. 112, 064116 (2012); 10.1063/1.4754318 Role of dual-laser ablation in controlling the Pb depletion in epitaxial growth of Pb(Zr0.52Ti0.48)O3 thin films with enhanced surface quality and ferroelectric properties J. Appl. Phys. 111, 064102 (2012); 10.1063/1.3694035 Misfit strain dependence of ferroelectric and piezoelectric properties of clamped (001) epitaxial Pb(Zr0.52,Ti0.48)O3 thin filmsThe interface effects on the ferroelectric polarization and stability of PbTiO 3 (PTO) films with metallic (Pt) or oxide (LaNiO 3 , SrRuO 3 ) electrodes were studied using density functional theory calculation. It was found that the PTO film with oxide electrodes has stronger electrode/ ferroelectric interface adhesion, lower polarization magnitude, and worse polarization stability, than that with Pt electrode. The PbO-terminated PTO films show weaker adhesion with the electrodes, but have higher polarization magnitude and better polarization stability than the TiO 2 -terminated ones. The strain effects induced by misfit interface were also studied. Results show that the ferroelectric polarization and its stability can be enhanced by applying compressive strain, while depressed by applying tensile strain. V C 2013 AIP Publishing LLC.

Polarization Screening Mechanisms at La0.7Sr0.3MnO3–PbTiO3 Interfaces

“…5,6,9,10 Within these structures, interface effects still play a crucial role. By altering the electronic and mechanical boundaries, 5,[11][12][13] new functional properties such as conduction and magnetism can emerge. [14][15][16][17] This has empowered the development of novel ferroelectric based nanoelectronic devices.…”

“…This has allowed the development of structures with novel properties through the manipulation of their order parameters (e.g., polarization, strain, and magnetism). ,,, Within these structures, interface effects still play a crucial role. By altering the electronic and mechanical boundaries, ,− new functional properties such as conduction and magnetism can emerge. − This has empowered the development of novel ferroelectric-based nanoelectronic devices. Many parameters at the interface (such as strain, conductivity, and composition) can influence the observed polarization, , which are often competing and provide a complex array of options to engineer desired properties.…”

Periodic arrays of flux-closure domains in ferroelectric thin films with oxide electrodes

“…As pointed out previously, the asymmetric electrical boundary conditions can indeed affect ferroelectric polarization, domain morphology, and physical properties of the ferroelectric film. 11,12,15,34 In the work of Peters et al, 12 the asymmetric screening to the depolarization field was used to explain the asymmetry of polarization states in 180 domains and the formation of flux-closure domains. However, the asymmetric screening of the depolarization field should not result in the difference in two domains separated by a 180 domain wall, since the magnitudes of depolarization fields in the two domains are exactly the same.…”

Van der Waals Antiferroelectric Magnetic Tunnel Junction: A First-Principles Study of a CrSe2/CuInP2S6/CrSe2 Junction

“…Here, the transition between two FE states is that all Cu atoms move from one side to the other side simultaneously. The transition barriers are comparable to those of conventional ferroelectric materials such as PbTiO 3 (∼140 meV) 57 and the 2D ferroelectric α-In 2 Se 3 (66 meV). 22 In addition, there are few electronic states around the vdW gap with an insulating character at both FE and AFE states (Figure 5b,c), ensuring the switch between FE and AFE states of monolayer CIPS by an electric field.…”