Related papers: Electric Polarization from Nonpolar Phonons
We present the computation of structural and polarization for a ferroelectric polymer, specifically, the beta-phase of poly(vinylidene fluoride) or (-CH$_2$-CF$_2$-)$_n$. Two structures have been described in the literature: one containing…
In this paper, we investigate the impact of higher-order interactions on the modulational instability (MI) of Bose-Einstein Condensates (BECs) immersed in an optical lattice potential. We derive the new variational equations for the time…
To enhance the efficiency of next-generation ferroelectric (FE) electronic devices, new techniques for controlling ferroelectric polarization switching are required. While most prior studies have attempted to induce polarization switching…
We use path integral Monte Carlo to study the energetics of excitons in layered, hybrid organic-inorganic perovskites in order to elucidate the relative contributions of dielectric confinement and electron-phonon coupling. While the…
Very recently a new family of layered materials, containing BiS2 planes was discovered to be superconducting at temperatures up to Tc=10 K, raising questions about the mechanism of superconductivity in these systems. Here, we present…
By means of density-functional simulations for half-doped manganites, such as pseudocubic Pr0.5Ca0.5MnO3 and bilayer PrCa2Mn2O7, we discuss the occurrence of ferroelectricity and we explore its crucial relation to the crystal structure and…
The possibility to combine and finetune properties of functional molecular materials by chemical design is particularly relevant for organic ferroelectrics. In this work, we investigate a class of organic molecular materials that show…
We use the Berry-phase-based theory of macroscopic polarization of dielectric crystals formulated in terms of Wannier functions, and state-of-the-art Gaussian basis functions, to obtain benchmark ab initio Hartree-Fock values of the Born…
A growing list of Ce-based magnets have shown an extra and heretofore unexplained crystal electric field (CEF) mode at high energies. We describe a process whereby an optical phonon can produce a split CEF mode well above the phonon energy.…
The transient quantum statistical properties of the atoms and molecules in an atom-molecule BEC system are investigated by obtaining a third-order perturbative solution of the Heisenberg's equations of motion corresponding to the…
Density-functional theory within a Berry-phase formulation of the dynamical polarization is used to determine the second-order susceptibility $\chi^{(2)}$ of lithium niobate (LiNbO$_3$). Defect trapped polarons and bipolarons are found to…
Electron-positron pair production in dynamically assisted two-color electric fields is investigated for various polarizations. Momentum spectrum and number density of the created pairs are examined carefully, in particular, the effects of…
Two-dimensional (2D) electronic materials are of significant technological interest due to their exceptional properties and broad applicability in engineering. The transition from nanoscale physics, that dictates their stable…
A technique for obtaining efficient bulk second order susceptibility in non centro-symmetric Photonic Crystals (PC) made from centro-symmetric materials is discussed. The effect is based on the electric quadrupole effect, strong…
We report first principles density functional calculations of the Born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg1/3Nb2/3O3). Visualization of the Born charge tensors as charge ellipsoids have provided…
We study the emergence of density waves in dipolar Bose-Einstein condensates (BEC) when the strength of dipole-dipole atomic interactions is periodically varied in time. The proposed theoretical model, based on the evolution of small…
We show that a sudden change in the polarization direction of the magnetic dipole moments of the atoms in a dipolar Bose-Einstein condensate (BEC) can serve as a useful probe to sense its superfluid and solid-like properties. We find that…
The direct magnetoelectric (ME) effect resulting from the polarization changes induced in a ferroelectric film by the application of a magnetic field to a ferromagnetic substrate is described using the nonlinear thermodynamic theory. It is…
The discovery of two-dimensional (2D) materials possessing switchable spontaneous polarization with atomic thickness opens up exciting opportunities to realize ultrathin, high-density electronic devices with potential applications ranging…
Elastic lepton scattering off of a nucleon has proved to be an efficient tool to study the structure of the hadron. Modern cross section and asymmetry measurements at Jefferson Lab require effects beyond the leading order Born approximation…