Related papers: A stochastical model for periodic domain structuri…
We discuss an active phase field crystal (PFC) model that describes a mixture of active and passive particles. First, a microscopic derivation from dynamical density functional theory (DDFT) is presented that includes a systematic treatment…
We propose an approach for exploiting machine learning to approximate electronic fields in crystalline solids subjected to deformation. Strain engineering is emerging as a widely used method for tuning the properties of materials, and this…
The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase field crystal free…
Pb-based perovskites with multiple cations are fascinating materials showing various phenomena such as high piezoelectric, electromechanical, and relaxor properties. While chemical disordering accompanied by polar nanoregions and nanosized…
We investigate the energetic ground states of a model two-phase system with 1/r^3 dipolar interactions in two dimensions. The model exhibits spontaneous formation of two kinds of periodic domain structure. A striped domain structure is…
Consecutive stochastic 90{\deg} polarization switching events, clearly resolved in recent experiments, are described by a new nucleation and growth multi-step model. It extends the classical Kolmogorov-Avrami-Ishibashi approach and includes…
Polarization in ferroelectric domains arises from atomic-scale structural variations that govern macroscopic functionalities. The interfaces between these domains known as domain walls host distinct physical responses, making their…
We consider a small metallic particle (quantum dot) where ferromagnetism arises as a consequence of Stoner instability. When the particle is connected to electrodes, exchange of electrons between the particle and the electrodes leads to a…
We study the differential forms over the frame bundle of the based loop space. They are stochastics in the sense that we put over this frame bundle a probability measure. In order to understand the curvatures phenomena which appear when we…
In this paper the relationship between the density functional theory of freezing and phase field modeling is examined. More specifically a connection is made between the correlation functions that enter density functional theory and the…
We review how phase-field models contributed to the understanding of various aspects of crystal nucleation including homogeneous and heterogeneous processes, and their role in microstructure evolution. We recall results obtained both by the…
The equilibrium sizes of micro- and nano-domains caused by electric field of atomic force microscope tip in ferroelectric semiconductor crystals have been calculated. The domain was considered as a prolate semi-ellipsoid with rather thin…
The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…
Domain walls in ferroelectrics exhibit a plethora of phases and functionalities not found in the bulk. The interplay of electrostatic, chemical, topological, and distortive inhomogeneities at the walls can be so complex, however, that this…
A new kinetic instability which results in formation of charge density waves is proposed. The instability is of a purely classical nature. A spatial period of arising space-charge and field configuration is inversely proportional to…
A model for Metal-Ferroelectric-Metal structures with Schottky contacts is proposed. The model adapts the general theories of metal-semiconductor rectifying contacts for the particular case of metal-ferroelectric contact by introducing: the…
The macroscopic dielectric permittivity of dielectric crystals is related to the microscopic atomic polarizability of constituent atoms by the known Clausius-Mossotti relation obtained in the middle of 19th century. We derive a similar…
Ferroelectric liquid crystals (FLCs) couple the direction of their spontaneous electric polarization to the direction of tilt of their optic axis. Consequently, reversal of the electric polarization by an electric field gives rise to an…
Ferroic materials (ferromagnetic, ferroelectric, ferroelastic) usually divide into domains with different orientations of their order parameter. Coupling different ferroic systems creates new functionalities, for instance the electrical…
Introducing structural and/or chemical heterogeneity into otherwise ordered crystals can dramatically alter material properties. Lead-based relaxor ferroelectrics are a prototypical example, with decades of investigation having connected…