Related papers: A stochastical model for periodic domain structuri…
Using first-principles methods, we predict the energy landscape and ferroelectric states of double perovskites of the form AA$'$BB$'$O$_6$ in which the atoms on both the A and B sites are arranged in rock-salt order. While we are not aware…
The dynamics of phase field crystal (PFC) modeling is derived from dynamical density functional theory (DDFT), for both single-component and binary systems. The derivation is based on a truncation up to the three-point direct correlation…
Nanoscale ferroelectrics that can be integrated into microelectronic fabrication processes are highly desirable for low-power computing and non-volatile memory devices. However, scalable novel ferroelectric materials, such as hafnium oxide…
We theoretically and numerically studied ordering of "colloidal ionic clusters" on periodic substrate potentials as those generated by optical trapping. Each cluster consists of three charged spherical colloids: two negatively and one…
Hysteretic switching of domain states is a salient character of all ferroic materials and the foundation for their multifunctional applications. Ferro-rotational order is emerging as a new type of ferroic order featuring structural…
We report the experimental determination of the structure and response to applied electric field of the lower-temperature nematic phase of the previously reported calamitic compound 4-[(4-nitrophenoxy)carbonyl]phenyl2,4-dimethoxybenzoate…
We demonstrate the formation of ferroelectric domain-wall polarons in a minimal two-dimensional lattice model of electrons interacting with rotating dipoles. Along the domain-wall, the rotors polarize in opposite directions, causing the…
In this paper, we present the dynamics and modeling of multi-domains in the ferroelectric FET (FeFET). Due to the periodic texture of domains, the electrostatics of the FeFET exhibit an oscillatory conduction band profile. To capture such…
Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a crystal's formation energy, which identifies its stability…
Magnetic nanoparticles are useful biological probes as well as therapeutic agents. There have been several approaches used to model nanoparticle magnetization dynamics for both Brownian as well as N\'eel rotation. The magnetizations are…
The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…
Ferroelectric domain walls (DWs) are promising structures for assembling future nano-electronic circuit elements on a larger scale, since reporting domain wall currents of up to 1 mA per single DW. One key requirement hereto is their…
The phase-field crystal model (PFC) describes crystal structures at diffusive timescales through a periodic order parameter representing the atomic density. One of its main features is that it naturally incorporates elastic and plastic…
The finite screening length by real metallic electrodes, albeit very small (<1A), results in finite depolarizing field that tends to split the film into domains. In very thin ferroelectric films the domain structure reduces to sinusoidal…
Ferroelectrics are widely used for a broad array of technological applications due to their attractive electrical and electromechanical properties. In order to obtain large functional properties, material compositions are often designed to…
Domain wall morphologies in ferroelectrics are believed to be largely shaped by electrostatic forces. Here, we show that for conducting domain walls, the morphology also depends on the details of the charge-carrier band structure. For…
Domain walls of a discrete model of an anisotropic ferromagnet are studied. They can be described by sequences of two reversible mappings. Competition between the length scale of spatial structures and the lattice constant leads to a rich…
Engraving trenches on the surfaces of ultrathin ferroelectric (FE) films and superlattices promises control over the orientation and direction of FE domain walls (DWs). Through exploiting the phenomenon of DW-surface trench (ST) parallel…
A general formulation is presented to derive the equation of motion and to demonstrate thermodynamic consistency for several classes of phase field models at once. It applies to models with a conserved phase field, describing either uniform…
The switching of electric polarization induced by electric fields -a fundamental functionality of ferroelectrics- is closely associated with the motions of the domain walls that separate regions with distinct polarization directions.…