相关论文: Structural and effective charge determination for …
HfO$_{2}$-based ferroelectric thin films are promising for their application in ferroelectric devices. Predicting the ultimate magnitude of polarization and understanding its switching mechanism are critical to realize the optimal…
The direction of ferroelectric polarization is prescribed by the symmetry of the crystal structure. Therefore, rotation of the polarization direction is largely limited, despite the opportunity it offers in understanding important…
The intrinsic flexible character of polymeric materials also causes remarkable strain deformations along directions perpendicular to the applied stress. Here the biaxial response in the shear piezoelectricity of polyvinylidenefluoride…
We present extensive Monte Carlo simulations for the thermodynamic and structural properties of a planar bilayer of dipolar hard spheres for a wide range of densities, dipole moments and layer separations. Expressions for the stress and…
The emergent behaviors in thin films of a multiaxial ferroelectric due to an electrochemical coupling between the rotating polarization and surface ions are explored within the framework of the 2-4 Landau-Ginzburg-Devonshire (LGD)…
In this work, we present a compactly supported radial basis function (CSRBF) based meshfree method to analyse geometrically nonlinear flexoelectric nanostructures considering surface effects. Flexoelectricity is the polarization of…
The influence of flexoelectric coupling on the internal structure of neutral domain walls in tetragonal phase of perovskite ferroelectrics is studied. The effect is shown to lower the symmetry of 180-degree walls which are oblique with…
The structure factor is a useful observable for probing charge density correlations in real materials, and its long-wavelength behavior encapsulated by ``quantum weight'' has recently gained prominence in the study of quantum geometry and…
We study the ground state phase diagram of the extended Hubbard model in a half-filled 5/7 skewed ladder, which is topologically equivalent to a \{112\} grain boundary in graphene and related systems. Using the mean-field method, we…
Using first-principles calculations, we predict a lightweight room-temperature ferroelectric carbon-boron framework in a host/guest clathrate structure. This ferroelectric clathrate, with composition ScB$_3$C$_3$, exhibits high polarization…
Flat phonon bands in fluorite ferroelectrics (HfO2 or ZrO2) shrink polar domains laterally to an irreducible half-unit-cell width (0.27 nm) within which the vertical arrangement of dipoles is expected to remain uniform. We report on the…
We theoretically investigate charge order and nonlinear conduction in a quasi-two-dimensional organic conductor \beta-(meso-DMBEDT-TTF)2PF6 [DMBEDT-TTF=dimethylbis(ethylenedithio)tetrathiafulvalene]. Within the Hartree-Fock approximation,…
We study two-dimensional spinful insulating phases of matter that are protected by time-reversal and crystalline symmetries. To characterize these phases we employ the concept of corner charge fractionalization: Corners can carry charges…
We consider a typical heterostructure domain patterned ferroelectric film/ultra thin dielectric layer/ semiconductor, where the semiconductor can be an electrolyte, paraelectric or multi layered graphene. Unexpectedly we have found that the…
We calculated a spin-polarized conductance in the almost unexplored nanostructure "high temperature ferromagnetic insulator/ graphene/ ferroelectric film" with a special attention to the impact of electric polarization rotation in a…
Using short circuit and open circuit modifications of the thermally stimulated depolarization current technique, relaxation currents have been measured in corona poled copolymer of vinylidene fluoride with tetrafluoroethylene in samples…
We report on numerical predictions and experimental observations of a novel type of temporal localized dissipative structures that manifest themselves in the self-defocusing regime of driven nonlinear optical resonators with two…
Self-assembly into target structures is an efficient material design strategy. Combining analytical calculations and computational techniques of evolutionary and Monte Carlo types, we report about a remarkable structural variability of…
Using a joint approach of density functional theory and model calculations, we demonstrate that a prototypical charge ordered half-doped manganite, La$_{1/2}$Ca$_{1/2}$MnO$_3$ is multiferroic. The combination of a peculiar charge-orbital…
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…