Origin of Large Dielectric Constant with Large Remnant Polarization and Evidence of Magnetoelectric Coupling in Multiferroic La modified BiFeO3-PbTiO3 Solid Solution

The presence of superlattice reflections and detailed analyses of the powder neutron and x-ray diffraction data reveal that La rich (BF$_{0.50}$-LF$_{0.50}$)$_{0.50}$-(PT)$_{0.50}$ (BF-LF-PT) has ferroelectric rhombohedral crystal structure with space group \textit{$R3c$} at ambient conditions. The temperature dependence of lattice parameters, tilt angle, calculated polarization $(P_{s})$, volume, and integrated intensity of superlattice and magnetic reflections show an anomaly around 170 K. Impedance spectroscopy, dielectric and ac conductivity measurements were performed in temperature range $473K \leq T \leq 573K$ to probe the origin of large remnant polarization and frequency dependent broad transitions with large dielectric constant near $T_c^{FE}$. Results of impedance spectroscopy measurements clearly show contributions of both grain and grain boundaries throughout the frequency range ($10^{3}$ Hz$\leq f\leq 10^{7}$ Hz). It could be concluded that the grain boundaries are more resistive and capacitive as compared to the grains, resulting in inhomogeneities in the sample causing broad frequency dependent dielectric anomalies. Enhancement in dielectric constant and remnant polarization values are possibly due to space charge polarization caused by piling of charges at the interface of grains and grain boundaries. The imaginary parts of dielectric constant ($\epsilon^{\prime\prime}$) Vs frequency data were fitted using Maxwell-Wagner model at $T_c^{FE}(\sim 523$K) and model fits very well with the data up to $10^{5}$ Hz. Magnetodielectric measurements prove that the sample starts exhibiting magnetoelectric coupling at $\sim 170$ K, which is also validated by neutron diffraction data.Comment: 20 pages, 10 figure

Ultracold heteronuclear molecules and ferroelectric superfluids

We analyze the possibility of a ferroelectric transition in heteronuclear molecules consisting of Bose-Bose, Bose-Fermi or Fermi-Fermi atom pairs. This transition is characterized by the appearance of a spontaneous electric polarization below a critical temperature. We discuss the existence of a ferroelectric Fermi liquid phase for Fermi molecules and the existence of a ferroelectric superfluid phase for Bose molecules characterized by the coexistence of ferroelectric and superfluid orders. Lastly, we propose an experiment to detect ferroelectric correlations through the observation of coherent dipole radiation pulses during time of flight.Comment: 4 pages and 3 figure

Generarized Cubic Model for BaTiO3_3-like Ferroelectric Substance

We propose an order-disorder type microscopic model for BaTiO$_3$-like Ferroelectric Substance. Our model has three phase transitions and four phases. The symmetry and directions of the polarizations of the ordered phases agree with the experimental results of BaTiO$_3$. The intermediate phases in our model are known as an incompletely ordered phase, which appears in a generalized clock model.Comment: 6 pages, 4figure

Ideal barriers to polarization reversal and domain-wall motion in strained ferroelectric thin films

The ideal intrinsic barriers to domain switching in c-phase PbTiO_3 (PTO), PbZrO_3 (PZO), and PbZr_{1-x}Ti_xO_3 (PZT) are investigated via first-principles computational methods. The effects of epitaxial strain on the atomic structure, ferroelectric response, barrier to coherent domain reversal, domain-wall energy, and barrier to domain-wall translation are studied. It is found that PTO has a larger polarization, but smaller energy barrier to domain reversal, than PZO. Consequentially the idealized coercive field is over two times smaller in PTO than PZO. The Ti--O bond length is more sensitive to strain than the other bonds in the crystals. This results in the polarization and domain-wall energy in PTO having greater sensitivity to strain than in PZO. Two ordered phases of PZT are considered, the rock-salt structure and a (100) PTO/PZO superlattice. In these simple structures we find that the ferroelectric properties do not obey Vergard's law, but instead can be approximated as an average over individual 5-atom unit cells.Comment: 9 pages, 13 figure

Comment on "On the importance of the free energy for elasticity under pressure"

Marcus et al. (Marcus P, Ma H and Qiu S L 2002 J. Phys.: Condens. Matter 14 L525) claim that thermodynamic properties of materials under pressure must be computed using the Gibbs free energy $G$, rather than the internal energy $E$. Marcus et al. state that ``The minima of $G$, but not of $E$, give the equilibrium structure; the second derivatives of $G$, but not of $E$, with respect to strains at the equilibrium structure give the equilibrium elastic constants.'' Both statements are incorrect.Comment: Commen

Vortex-to-Polarization Phase Transformation Path in Pb(ZrTi)O3_3 Nanoparticles

Phase transformation in finite-size ferroelectrics is of fundamental relevance for understanding collective behaviors and balance of competing interactions in low-dimensional systems. We report a first-principles effective Hamiltonian study of vortex-to-polarization transformation in Pb(Zr$_{0.5}$Ti$_{0.5}$)O$_3$ nanoparticles, caused by homogeneous electric fields normal to the vortex plane. The transformation is shown to (1) follow an unusual {\it macroscopic} path that is symmetry non-conforming and characterized by the occurrence of a previously unknown structure as the bridging phase; (2) lead to the discovery of a striking collective phenomenon, revealing how ferroelectric vortex is annihilated {\it microscopically}. Interactions underlying these behaviors are discussed

Chaos in effective classical and quantum dynamics

We investigate the dynamics of classical and quantum N-component phi^4 oscillators in the presence of an external field. In the large N limit the effective dynamics is described by two-degree-of-freedom classical Hamiltonian systems. In the classical model we observe chaotic orbits for any value of the external field, while in the quantum case chaos is strongly suppressed. A simple explanation of this behaviour is found in the change in the structure of the orbits induced by quantum corrections. Consistently with Heisenberg's principle, quantum fluctuations are forced away from zero, removing in the effective quantum dynamics a hyperbolic fixed point that is a major source of chaos in the classical model.Comment: 6 pages, RevTeX, 5 figures, uses psfig, changed indroduction and conclusions, added reference