Related papers: Trilinear coupling driven ferroelectricity in HfO$…
Hafnium oxide (HfO2), particularly at low-dimensional scales, exhibits extensive promising applications in ultrahigh density devices like low-power logic and non-volatile memory devices due to its compatibility with current semiconductor…
We discuss a simple phenomenological Landau theory of phase transitions with two coupled single-component order parameters and compare the results with available experimental data. The model corresponds to the case of a ferroic system, in…
Different dopants with their specific dopant concentration can be utilized to produce ferroelectric HfO$_2$ thin films. In this work it is explored for the example of Sr in a comprehensive first-principles study. Density functional…
The spin-driven component of electric polarization in a single crystal of multiferroic BiFeO$_{3}$ was experimentally investigated in pulsed high magnetic fields up to 41 T. Sequential measurements of electric polarization for various…
First-principles density-functional calculations within the local-density approximation and the pseudopotential approach are used to study and characterize the ferroelastic phase transition in calcium chloride (CaCl_2). In accord with…
We performed magnetic and ferroelectric measurements, first principle calculations and Landau theory analysis on hexagonal YMnO3. The polarization and the AFM order parameter were found to present different temperature dependence at TN. A…
Most non-ferroelectric two-dimensional materials can be endowed with so-called sliding ferroelectricity via non-equivalent homo-bilayer stacking, which is not applicable to mono-element systems like pure graphene bilayer with inversion…
We study the statics and the dynamics of domain patterns in proper hexagonal-orthorhombic ferroelastics; these patterns are of particular interest because they provide a rare physical realization of disclinations in crystals. Both our…
We have proposed the phenomenological description of dielectric hysteresis loops in ferroelectric semiconductors with charged defects and prevailing extrinsic conductivity. Exactly we have modified Landau-Ginsburg approach and shown that…
Ferroelectric control of altermagnetism in momentum space has been studied widely, while the control of magnetism in real space of altermagnets are still rare. We present a design rule to identify multiferroicity in n=2 Ruddlesden-Popper…
Using Landau-Ginzburg-Devonshire theory and phase field modeling, we explore the complex interplay between the long-range structural order parameter (oxygen octahedron rotations) and polarization in EuxSr1-xTiO3 thin epitaxial films. In…
A stochastic model of electric field-driven polarization reversal in orthorhombic ferroelectrics is advanced, providing a description of their temporal electromechanical response. The theory accounts for all possible parallel and sequential…
We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…
Bulk LiOsO3 was experimentally identified as a "ferroelectric" metal where polar distortions coexist with metallicity [Shi et al., Nature Materials 12, 1024 (2013)]. It is generally believed that polar displacements in a "ferroelectric"…
Hafnia-based ferroelectrics have become a valuable class of electronic functional materials at the nanoscale, showing great potential for next-generation memory and logic devices. However, more robust ferroelectric properties and better…
In this work, we investigate the accumulative polarization (P) switching characteristics of ferroelectric (FE) thin films under the influence of sequential electric-field pulses. By developing a dynamic phase-field simulation framework…
Surprisingly little is known about the microscopic processes that govern ferroelectric switching in orthorhombic ferroelectrics. To study microscopic switching processes we combine ab initio-based molecular dynamics simulations and data…
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…
Because of its compatibility with semiconductor-based technologies, hafnia (HfO$_{2}$) is today's most promising ferroelectric material for applications in electronics. Yet, knowledge on the ferroic and electromechanical response properties…
We investigate the effect of polar Sr-O vacancy pairs on the electric polarization of SrMnO$_3$ (SMO) thin films using density functional theory (DFT) calculations. This is motivated by indications that ferroelectricity in complex oxides…