相关论文: Origin of Pyroelectricity in LiNbO3
Lithium niobate sees widespread use in nonlinear and quantum optical devices, such as for sum- and difference-frequency generation or spontaneous parametric down-conversion. In lithium niobate waveguides, nonlinear optical processes are…
Layered-oxide $\mathrm{LiNi_xMn_yCo_{1-x-y}O_2}$ (NMC) positive electrodes with high Nickel content, deliver high voltages and energy densities. However, a high nickel content, e.g., $x$ = 0.8 (NMC 811), can lead to high surface reactivity,…
In principle thermoelectricity is a viable route of converting waste heat into electricity, but the commercialization of the technology is limited by its present efficiency. In quest of improved materials, utilizing an \textit{ab initio}…
Materials with formula of A2B2O7 is a famous family with more than 300 compounds, and have abundant properties, like ferroelectric, multiferroic, and photocatalyst properties, etc. Generally, two structures dominate this family, which are…
The electronic structure of NdVO3, YVO3 has been investigated as a function of sample temperature using resonant inelastic soft x-ray scattering at the V L3-edge. Most of the observed spectral features are in good agreement with an atomic…
Strain engineering of perovskite oxide thin films has proven to be an extremely powerful method for enhancing and inducing ferroelectric behavior. In ferroelectric thin films and superlattices, the polarization is intricately linked to…
The usual approach to the development of new nonlinear dielectric materials focuses on the search for materials in which the components possess an inherently large nonlinear dielectric response. In contrast, based on thermodynamics, we have…
Thermoelectric materials create an electric potential when subject to a temperature gradient and vice versa hence they can be used to harvest waste heat into electricity and in thermal management applications. However, finding highly…
We report modifications of the ferroelectric and electrocaloric properties of BaTiO$_3$ by defects. For this purpose, we have combined \textit{ab initio}-based molecular dynamics simulations with a simple model for defects. We find that…
The (001) surfaces of polar perovskites BaTiO$_3$ and PbTiO$_3$ have been studied from first principles at T=0 K. For both cases of polarization, the most stable TiO-terminated interfaces show intrinsic ferroelectricity. In the topmost…
We have made the first observation of a charged particle beam by means of its electro-optical effect on the propagation of laser light in a birefringent crystal at the Brookhaven National Laboratory Accelerator Test Facility. Polarized…
With the development of electronic structure theory, a new class of materials - quantum ones has been recognized by the community. Traditionally, it has been believed that the properties of such compounds cannot be described within the…
Understanding the physics of structurally and chemically complex transition-metal oxide and polyanionic materials such as those used for battery electrodes is challenging, even at the level of pristine compounds. Yet these materials are…
Electron clusters, X-rays and nanosecond radio-frequency pulses are produced by 100 mW continuous-wave laser illuminating ferroelectric crystal of LiNbO_3. A long-living stable electron droplet with the size of about 100 mcm has freely…
We investigate the impact of photorefractive effect on lithium niobate integrated quantum photonic circuits dedicated to continuous variable on-chip experiments. The circuit main building blocks, i.e. cavities, directional couplers, and…
Ferroelectric and multiferroic materials form an important class of functional materials. Over the last twenty years, first-principles-based effective Hamiltonian approaches have been successfully developed to simulate these materials. In…
Ferroelectric perovskites have been ubiquitously applied in piezoelectric devices for decades, among which, eco-friendly lead-free (K,Na)NbO3-based materials have been recently demonstrated to be an excellent candidate for sustainable…
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…
Multifunctional oxides are promising materials because of their fundamental physical properties as well as their potential in applications1. Among these materials, multiferroics exhibiting ferroelectricity and magnetism are good candidates…
Both amorphous and crystalline materials frequently exhibit low temperature specific heats in excess of what is predicted using the Debye model. The signature of this excess specific heat is a peak observed in $C/T^3$ \textit{versus} $T$.…