Related papers: Ferroelectric Dead Layer Driven by a Polar Interfa…
The design of the interfacial bondings at metal-oxide interfaces yields exciting new phenomena and can be a route to sustain, and even promote, ferroelectricity at the nanoscale. We study the impact of these interfaces on the nature of the…
A monolayer of ZrO$_{2}$ has recently been grown on the Si(001) surface and shown to have ferroelectric properties, which signifies the realization of the lowest possible thickness in ferroelectric oxides [M. Dogan et al., Nano Lett., 18…
In this work, we analyze dead layer comprising non-polar monoclinic (m) phase in $Hf_xZr_{1-x}O_2$ (HZO)-based ferroelectric (FE) material using first principles analysis. We show that with widely used tungsten (W) metal electrode, the…
Electric-field control of spin-dependent properties has become one of the most attractive phenomena in modern materials research due the promise of new device functionalities. One of the paradigms in this approach is to electrically toggle…
The presence of a space charge region induces an internal electric field within the charged region that, in a ferroelectric material, would rotate the polarisations to align with the field. The strength of the induced field would therefore…
The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…
The interface superconductivity in LaAlO$_{3}$-SrTiO$_{3}$ heterostructures reveals a non-monotonic behavior of the critical temperature as a function of the two-dimensional density of charge carriers. We develop a theoretical description…
First principles calculations reveal that adding a metallic overlayer on LaAlO3/SrTiO3(001) eliminates the electric field within the polar LaAlO3 film and thus suppresses the thickness-dependent insulator-to-metal transition observed in…
The existence of ferroelectricity in {$\mathrm{BiMnO}_3$} has been a long-standing question for both experimentalists and theorists. In addition to a highly distorted bulk structure, the ionic crystal planes cause a large roughness in thin…
We report studies of ferroelectricity in ultra-thin perovskite films with realistic electrodes. The results reveal stable ferroelectric states in thin films less than 10 \AA thick with polarization normal to the surface. Under short-circuit…
For the ferroelectric perovskite compounds BaTiO3 and PbTiO3, we have studied the effects of external electric fields on the structural properties of the (001) surfaces. The field-induced changes in the surface interlayer spacings and…
The surface charge associated with the spontaneous polarization in ferroelectrics is well known to cause a depolarizing field that can be particularly detrimental in the thin-film geometry desirable for microelectronic devices. Incomplete…
We investigate the role of lattice polarization in determination of induced carrier density at the $n$-type interface of LaAlO$_3$ overlayer on SrTiO$_3$ (001) by carrying out density-functional-theory calculations. When no oxygen vacancy…
Ferroelectric materials underlie key optical technologies in optical communications, integrated optics and quantum computing. Yet, there is a lack of a consistent thermodynamic framework to predict the optical properties of ferroelectrics…
The electric field control of functional properties is a crucial goal in oxide-based electronics. Non-volatile switching between different resistivity or magnetic states in an oxide channel can be achieved through charge accumulation or…
Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be exploited in new generations of electronic devices with enhanced functionalities. The…
We explore the effect of charge carrier doping on ferroelectricity using density functional calculations and phenomenological modeling. By considering a prototypical ferroelectric material, BaTiO3, we demonstrate that ferroelectric…
Thin film synthesis methods developed over the past decades have unlocked emergent interface properties ranging from conductivity to ferroelectricity. However, our attempts to exercise precise control over interfaces are constrained by a…
BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…
The so-called "polar catastrophe", a sudden electronic reconstruction taking place to compensate for the interfacial ionic polar discontinuity, is currently considered as a likely factor to explain the surprising conductivity of the…