相关论文: Size-dependent piezoelectricity

The methods of density-functional perturbation theory may be used to calculate various physical response properties of insulating crystals including elastic, dielectric, Born charge, and piezoelectric tensors. These and other important…

As a consequence of elasticity, mechanical deformations of crystals occur on a length scale comparable to their thickness. This is exemplified by applying a homogeneous electric field to a multi-domain ferroelectric crystal: as one domain…

Despite symmetrical polarization, the magnitude of a light-induced voltage is known to be asymmetric with respect to poling sign in many photovoltaic (PV) ferroelectrics (FEs). This asymmetry remains unclear and is often attributed to…

Sliding ferroelectricity is a recently observed polarity existing in two-dimensional materials. However, due to their weak polarization and poor electrical insulation in these materials, all available experimental evidence till now are…

We analyzed the domain morphology, electrocaloric response, and negative capacitance states in a one-dimensional array of uniformly oriented, radial symmetric ferroelectric nanowires, whose spontaneous polarization is normal to their…

Piezoresistivity is the most commonly used sensing principle in cement-based smart composites for strain-monitoring applications. Nonetheless, the need for external electric power to conduct electrical resistivity measurements restricts the…

Fluctuating-charge models have been used to model polarization effects in molecular mechanics methods. However, they overestimate polarizabilities in large systems. Previous attempts to remedy this have been at the expense of forbidding…

We use first-principles density-functional total energy and polarization calculations to calculate the piezoelectric tensor at zero temperature for both cubic and simple tetragonal ordered supercells of Pb_3GeTe_4. The largest piezoelectric…

We propose a protocol to model accurately the electromechanical behavior of dielectric elastomer membranes using experimental data of stress-stretch and voltage-stretch tests. We show how the relationship between electric displacement and…

Magnetoelastic coupling, i.e., the change of crystal lattice induced by a spin order, is not only scientifically interesting, but also technically important. In this work, we propose a general microscopic model from first-principles…

Short period ferroelectric/ferroelectric BaTiO3 (BTO)/PbTiO3 (PTO) superlattices are studied using density functional theory. Contrary to the trends in paraelectric/ferroelectric superlattices the polarization remains nearly constant for…

Relaxor ferroelectrics exhibit exceptional dielectric and electromechanical properties, yet their microscopic origins remain elusive due to the interplay of hierarchical polar structures and chemical complexity. While models based on polar…

Recent data reported on the magneto-electric coupling,{\alpha}, of hexaferrite materials is very high, and they have the potential to impact future technologies in a major way. The fundamental question addressed in this paper is what does…

The Magnetoelectric (ME) effect in solids is a prominent cross correlation phenomenon, in which the electric field (${\bm E}$) controls the magnetization (${\bm M}$) and the magnetic field (${\bm H}$) controls the electric polarization…

Noncentrosymmetric nature of single-layer transition metal dichalcogenides manifest itself in the finite piezoelectricity and valley-Zeeman coupling. We microscopically model nonlinear exciton transport in nano-bubble of single-layers of…

We develop a general theory of electric polarization induced by inhomogeneity in crystals. We show that contributions to polarization can be classified in powers of the gradient of the order parameter. The zeroth order contribution reduces…

The strengths and short-comings of the point-dipole model for polar fluids of spherical molecules are illustrated by considering the physically more relevant case of extended dipoles formed by two opposite charges $\pm q$ separated by a…

We consider a composite piezoelectric material whose reference configuration is a thin shell with fixed thickness. In this work, we give a new approach based on the periodic unfolding method to justify the modelling of a thin piezoelectric…

Two-dimensional sliding ferroelectrics, with their unique stacking degrees of freedom, offer a different approach to manipulate polarization by interlayer sliding. Bending sliding ferroelectrics inevitably leads to interlayer sliding…

The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must…