相关论文: Electronic Structure and Phase Transition in Ferro…

Using first-principles density functional theoretical analysis, we predict coexisting ferroelectric and semi-metallic states in two-dimensional monolayer of h-NbN subjected to electric field and in-plane strain ($\epsilon$). At strains…

We discover that a large family of [Pb$_2$F$_2$]- and [Bi$_2$O$_2$]-based mixed-anion materials with a litharge-type structural unit are highly polarizable layered semiconductors on the edge of ferroelectricity. First-principles…

Crystallography and dielectric properties in Dion-Jacobson layered perovskites, CsNdNb$_2$O$_7$ and RbNdNb$_2$O$_7$, have been examined in dense polycrystalline samples, and polarization hysteresis loops that substantiate ferroelectricity…

Standing on successful first principles predictions for new functional ferroelectric materials, a number of new ferroelectrics have been experimentally discovered. Utilizing trilinear coupling of two types of octahedron rotations, hybrid…

Transition metal dichalcogenide homobilayers unite two frontiers of quantum materials research: sliding ferroelectricity, arising from rhombohedral (R) stacking, and moir\'e quantum matter, emerging from small-angle twisting. The…

Initial conditions after quenching from a high-temperature paraelectric phase to a low-temperature ferroelectric phase have a substantial impact on the temporal development and formation of stable polarization domain structures which…

Ferroelastic materials (materials with switchable spontaneous strain) often are centrosymmetric, but their domain walls are always polar, as their internal strain gradients cause polarization via flexoelectricity. This polarization is…

Static and dynamic critical behavior of Sn$_2$P$_2$S$_6$ type ferroelectrics and (Pb$_y$Sn$_{1-y}$)$_2$P$_2$(Se$_x$S$_{1-x}$)$_6$ mixed crystals with line of tricritical points and line of Lifshitz points on the $T-x-y$ phase diagram, which…

Topological spin and polar textures have fascinated people in different areas of physics and technologies. However, the observations are limited in magnetic and solid-state ferroelectric systems. Ferroelectric nematic is the first…

We review existing manifestations and prospects for ferroelectricity in electronically and optically active carbon-based materials. The focus point is the proposal for the electronic ferroelectricity in conjugated polymers from the family…

Nanostructured ferroelectrics display exotic multidomain configurations resulting from the electrostatic and elastic boundary conditions they are subject to. While the ferroelectric domains appear frozen in experimental images, atomistic…

The origin of ferroelectricity in KH_2PO_4 (KDP) is studied by first-principles electronic structure calculations. In the low-temperature phase, the collective off-center ordering of the protons is accompanied by an electronic charge…

Ferroelectric materials can switch their polarization in response to an applied electric field. In this work, ferroelectricity at the single molecule level is proposed and investigated using density functional theory (DFT) calculations.…

Gadolinium molybdate is a classical example of an improper ferroelectric and ferroelastic material. It is established that the spontaneous polarization arises as a secondary effect, induced by a structural instability in the paraelectric…

Analytical description of domain structure morphology and phase diagrams of ferroelectric nanoparticles is developed in the framework of Landau Ginzburg Devonshire approach. To model realistic conditions of incomplete screening of…

We report electric polarization and magnetization measurements in single crystals of double perovskite Lu2MnCoO6 using pulsed magnetic fields and optical second harmonic generation (SHG) in DC magnetic fields. we observe well-resolved…

Halide perovskite semiconductors respond to electric fields in a way that varies across time and length scales. We discuss the microscopic processes that give rise to the macroscopic polarization of these materials, ranging from the optical…

We investigate the strain dependence of the ferroelectric polarization and the structure of the ferroelectric domain walls in the layered perovskite-related barium fluorides, BaMF$_4$ (M=Mg, Zn). The unusual "geometric ferroelectricity" in…

Beyond a conventional classification of ferroelectricity, there is a class of materials where electronic degrees of freedom and electronic interactions are directly responsible for electric polarization and ferroelectric transition. This is…

Ferroelectricity observed in thin film $\mathrm{HfO_2}$, either doped with Si, Al, etc. or in the $\mathrm{Hf_{0.5}Zr_{0.5}O_2}$ form, has gained great technical significance. However, the soft mode theory faces a difficulty in explaining…