We derive a numerical method based on coupled density functional theory and effective Hamiltonian schemes to calculate the linear and quadratic electro-optic response of ferroelectrics at finite temperature and in different frequency ranges. By applying the developed method to BaTiO_{3}, we successfully resolve apparent discrepancies in the experimental literature that reported a linear or quadratic electro-optic response when visible or terahertz radiation was employed to measure the optical index, respectively. We further demonstrate that (and explain why), in the case of the Ba_{1-x}Sr_{x}TiO_{3} disordered solid solutions, structural phase transitions not only lead to larger linear electro-optic constants, as previously demonstrated in the literature, but also significantly enhance the quadratic electro-optic constants.
View Article and Find Full Text PDFIn the early 2000s, low dimensional ferroelectric systems were predicted to have topologically nontrivial polar structures, such as vortices or skyrmions, depending on mechanical or electrical boundary conditions. A few variants of these structures have been experimentally observed in thin film model systems, where they are engineered by balancing electrostatic charge and elastic distortion energies. However, the measurement and classification of topological textures for general ferroelectric nanostructures have remained elusive, as it requires mapping the local polarization at the atomic scale in three dimensions.
View Article and Find Full Text PDFDespite extensive studies on size effects in ferroelectrics, how structures and properties evolve in antiferroelectrics with reduced dimensions still remains elusive. Given the enormous potential of utilizing antiferroelectrics for high-energy-density storage applications, understanding their size effects will provide key information for optimizing device performances at small scales. Here, the fundamental intrinsic size dependence of antiferroelectricity in lead-free NaNbO membranes is investigated.
View Article and Find Full Text PDFMaterials possessing multiple states are promising to emulate synaptic and neuronic behaviors. Their operation frequency, typically in or below the GHz range, however, limits the speed of neuromorphic computing. Ultrafast THz electric field excitation has been employed to induce nonequilibrium states of matter, called hidden phases in oxides.
View Article and Find Full Text PDFThe Dzyaloshinskii-Moriya interaction (DMI) between two magnetic moments m and m is of the form [Formula: see text]. It originates from spin-orbit coupling, and is at the heart of fascinating phenomena involving non-collinear magnetism, such as magnetic topological defects (for example, skyrmions) as well as spin-orbit torques and magnetically driven ferroelectricity, that are of significant fundamental and technological interest. In sharp contrast, its electric counterpart, which is an electric DMI characterized by its [Formula: see text] strength and describing an interaction between two polar displacements u and u, has rarely been considered, despite the striking possibility that it could also generate new features associated with non-collinear patterns of electric dipoles.
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