Related papers: A ferroelectric problem beyond the conventional sc…
We consider ferroelectric phase transitions in both short-circuited and biased ferroelectric-semiconductor films with a space (depletion) charge which leads to some unusual behavior. It is shown that in the presence of the charge the…
In the paper we consider size effects of phase transitions and polar properties of the thin antiferroelectric films. We modified phenomenological approach proposed by Kittel. The Euler-Lagrange equations were solved by direct variational…
We show that misfit strain originated from the film-substrate lattice mismatch strongly increases the value of the quadratic magnetoelectric coupling. The giant magnetoelectric coupling, size effects and misfit strain cause strong changes…
The consideration of size-induced ferroelectric-paraelectric phase transition for conventional and incipient ferroelectrics thin films with perovskite structure was carried out in phenomenological theory framework of…
Ferroelectricity usually fades away when materials are thinned down below a critical value. Employing the first-principles density functional theory and modern theory of polarization, we show that the unique ionic-potential anharmonicity…
A thermodynamic theory of ferroelectric thin film multilayers is developed. The free energy function is written down using a multilayer model in which c-domain layers of one ferroelectric material alternate with a-domain layers of a second…
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…
Atomic-scale ferroelectrics are of great interest for high-density electronics, particularly field-effect transistors, low-power logic, and nonvolatile memories. We devised a film with a layered structure of bismuth oxide that can stabilize…
We study the ferroelectric stability and surface structural properties of an oxygen-terminated hexagonal YMnO$_3$ ultra-thin film using density functional theory. Under an open circuit boundary condition, the ferroelectric state with the…
A ferroelectric is a material with a polar structure whose polarity can be reversed by applying an electric field. In metals, the itinerant electrons tend to screen electrostatic forces between ions, helping to explain why polar metals are…
The discovery of ferroelectricity in AlScN allowed the first clear observation of the effect in the wurtzite crystal structure, resulting in a material with a previously unprecedented combination of very large coercive fields (2-5 MV/cm)…
The direct magnetoelectric (ME) effect resulting from the polarization changes induced in a ferroelectric film by the application of a magnetic field to a ferromagnetic substrate is described using the nonlinear thermodynamic theory. It is…
Quantum manifestations of various properties of metallic thin films by quantum size effect (QSE) have been studied intensively. Here, using first-principles calculations, we show quantum manifestation in dielectric properties of Al(111)…
We calculate the pyrocoefficient, static dielectric susceptibility profiles and its thickness dependence of ferroelectric thin films. Also, the temperature dependences of above quantities have been calculated. For the calculations we use…
Dimensional crossover of ordering in ferromagnetic films with both periodic and free boundary conditions is studied for the exactly solvable uniaxial model of classical D-component spin vectors in the limit D \to \infty. Analytical and…
Recent observations of unusual ferroelectricity in thin films of HfO_2 and related materials have attracted broad interest to the materials and led to the emergence of a number of competing models for observed behaviors. Here we develop the…
Understanding the polarization switching mechanisms at play in ferroelectric materials is crucial for their exploitation in electronic devices. The conventional centrosymmetric reference structure-based mechanism which accounts for…
The integration of ferroelectric and topological materials offers a promising avenue for advancing the development of quantum material devices. In this work, we explore the strong coupling between topological states and ferroelectricity in…
The direct magnetoelectric (ME) effect mediated by lattice strains induced in a ferroelectric film by a ferromagnetic substrate is evaluated using first-principles-based calculations. To that end, the strain sensitivity of ferroelectric…
The aim of this Chapter is to provide an account of recent advances in the first-principles modeling of ferroelectric oxide nanostructures. Starting from a microscopic description of ferroelectricity in bulk materials and considering then,…