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The ground-state polarization of PbTiO3 thin films is studied using a microscopic effective Hamiltonian with parameters obtained from first-principles calculations. Under short-circuit electrical boundary conditions, (001) films with…

材料科学 · 物理学 2009-10-31 Ph. Ghosez , K. M. Rabe

We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO$_3$ sandwiched between short-circuited electrodes to determine and understand effects of film thickness, epitaxial strain and the nature of…

材料科学 · 物理学 2009-11-13 Jaita Paul , Takeshi Nishimatsu , Y. Kawazoe , Umesh V. Waghmare

Micrometric domains of precise ferroelectric polarization have been written into a 20 nm thick epitaxial thin film of BaTiO3(001) (BTO) on a Nb doped SrTiO3 (STO) substrate using PiezoForce Microscopy (PFM). The domain dependent electronic…

材料科学 · 物理学 2018-06-06 N. Barrett , J. Rault , I. Krug , B. Vilquin , G. Niu , B. Gautier , D. Albertini , O. Renault

The temperature-dependent polarization of SrTiO_3 thin films is investigated using confocal scanning optical microscopy. A homogeneous out-of-plane and inhomogeneous in-plane ferroelectric phase are identified from images of the linear…

材料科学 · 物理学 2009-11-07 Oleg Tikhomirov , Hua Jiang , Jeremy Levy

Proximity to phase transitions (PTs) is frequently responsible for the largest dielectric susceptibilities in ferroelectrics. The impracticality of using temperature as a control parameter to reach those large responses has motivated the…

In thin film ferroelectric capacitor the chemical and electronic structure of the electrode/FE interface can play a crucial role in determining the kinetics of polarization switching. We investigate the electronic structure of a…

We calculate the bulk photovoltaic response of the ferroelectrics BaTiO$_3$ and PbTiO$_3$ from first principles by applying "shift current" theory to the electronic structure from density functional theory. The first principles results for…

材料科学 · 物理学 2015-06-04 Steve M. Young , Andrew M. Rappe

The instability of ferroelectric ordering in ultra-thin films is one of the most important fundamental issues pertaining realization of a number of electronic devices with enhanced functionality, such as ferroelectric and multiferroic…

Interface effects on the ferroelectric behavior of PbTiO$_3$ ultrathin films deposited on SrTiO$_3$ substrate are investigated using an interatomic potential approach with parameters fitted to first-principles calculations. We find that the…

材料科学 · 物理学 2009-11-11 M Sepliarsky , M. G. Stachiotti , R. L. Migoni

Domain engineering in ferroelectric thin films is crucial for next-generation microelectronic and photonic technologies. Here, a method is demonstrated to precisely control domain configurations in BaTiO$_3$ thin films through low-energy He…

We measure the remnant polarization of ferroelectric domains in BiFeO3 films down to 3.6 nm using low energy electron and photoelectron emission microscopy. The measured polarization decays strongly below a critical thickness of 5-7 nm…

Ferroelectric BaTiO3 films with large polarization have been integrated with Si(001) by pulsed laser deposition. High quality c-oriented epitaxial films are obtained in a substrate temperature range of about 300 deg C wide. The deposition…

材料科学 · 物理学 2018-01-25 Jike Lyu , Ignasi Fina , Raul Solanas , Josep Fontcuberta , Florencio Sanchez

We consider both experimentally and analytically the transient oscillatory process that arises when a rapid change in voltage is applied to a $Ba_xSr_{1-x}TiO_3$ ferroelectric thin film deposited on an $Mg0$ substrate. High frequency…

材料科学 · 物理学 2015-05-19 J. -G. Caputo , A. I. Maimistov , E. D. Mishina , E. V. Kazantseva , V. M. Mukhortov

Highly-crystalline ferroelectric oxides integrated on Si hold great promise for energy-efficient memory and logic technologies. Exploiting epitaxial strain engineering in these materials is, however, severely hampered on Si, where the large…

材料科学 · 物理学 2026-04-27 Jingtian Zhao , Beatriz Noheda , Martin F. Sarott

Surface and ferroelectric properties of PbTiO$_3$ thin films are investigated using an interatomic potential approach with parameters computed from first-principles calculations. We show that a model developed for the bulk describes…

材料科学 · 物理学 2009-11-11 M. Sepliarsky , M. G. Stachiotti , R. L. Migoni

The bulk photovoltaic effect exhibited by the non-centrosymmetric system gains research interest due to the observed large open-circuit voltage. The ferroelectric systems exhibiting anomalous photovoltaic effect are mostly crystallized with…

Circularly polarized photons are known to generate a directional helicity-dependent photocurrent in three-dimensional topological insulators at room temperature. Surprisingly, the phenomenon is readily observed at photon energies that…

Observation of Bloch oscillations and Wannier-Stark localization of charge carriers is typically impossible in single-crystals, because an electric field higher than the breakdown voltage is required. In BaTiO$_3$ however, high intrinsic…

The photoelectrochemical behavior of a planar 1 cm2 thick Ti-doped hematite film deposited on F:SnO2 coated glass was studied with both front and back illumination. Despite low quantum efficiency, photocurrent was observed upon back…

化学物理 · 物理学 2020-12-10 Asaf Kay , Daniel A Grave , Kirtiman D Malviya , David S Ellis , Hen Dotan , Avner Rothschild

Complex oxides offer a wide range of functional properties, and recent advances in fabrication of freestanding membranes of these oxides are adding new mechanical degrees of freedom to this already rich functional ecosystem. Here, we…

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