相关论文: Higher-order Landau-Devonshire theory for BaTiO3

In this article, we study minimization of the Landau-de Gennes energy for liquid crystal elastomer.The total energy, is of the sum of the Lagrangian elastic stored energy function of the elastomer and the Eulerian Landau-de Gennes energy of…

We calculate the exact analytical solution to the domain wall properties in a multiferroic system with two order parameters that are coupled bi-quadratically. This is then adapted to the case of a magnetoelectric multiferroic material such…

Spontaneous polarizations (PSs) of BaTiO3 and SrTiO3 under various conditions are calculated ab initio using different exchange-correlation functionals. The extensive theoretical sets of PS vs. ion positions are found to lie on a single…

The phase diagram of Sr_1-xEu_xTiO_3 is determined experimentally by electron paramagnetic resonance and resistivity measurements and analyzed theoretically within the self-consistent phonon approximation as a function of x ([0.03-1.0]).…

The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…

A joint theoretical approach, combining macroscopic symmetry analysis with microscopic methods (density functional theory and model cluster Hamiltonian), is employed to shed light on magnetoelectricity in Ba2CoGe2O7. We show that the…

We discuss the possibility of the spontaneous symmetry breaking characterized by order parameters with higher dimensionful composite fields. By analyzing general Ginzburg-Landau potential for a complex scalar field \phi=\phi_1 + i \phi_2…

A phenomenological theory of the loop-current and loop-spin-current phases is proposed. In order to investigate the stability of these phases, a Ginzburg-Landau-Wilson type action is constructed as a functional of the orbital magnetization.…

An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…

We calculate from first principles the nonlinear piezoelectric response of ferroelectric PbTiO3 for the case of a polarization-enhancing electric field applied along the tetragonal axis. We focus mainly on the case of fixed in-plane lattice…

We performed magnetic and ferroelectric measurements, first principle calculations and Landau theory analysis on hexagonal YMnO3. The polarization and the AFM order parameter were found to present different temperature dependence at TN. A…

Higher OH concentration is identified in tetragonal barium titanate (BaTiO$_3$) nanorods synthesized by a hydrothermal method with 10 vol% ethylene glycol solvent [Inada, M. $et$ $al$. $Ceram.$ $Int.$ $2015$, $41$, 5581-5587]. This is…

A theoretical analysis of the internal structure of interphase boundaries separating domains of coexisting phases are presented for the perovskite ferroelectric BaTiO3. The temperature dependence of interphase boundary widths and surface…

Up to now the crystallographic structure of the magnetoelectric perovskite EuTiO3 was considered to remain cubic down to low temperature. Here we present high resolution synchrotron X-ray powder diffraction data showing the existence of a…

Recent works suggest that the surface chemistry, in particular, the presence of oxygen vacancies can affect the polarization in a ferroelectric material. This should, in turn, influence the domain ordering driven by the need to screen the…

The physics of ferroelectric domain walls is explored using the Bayesian inference analysis of atomically resolved STEM data. We demonstrate that domain wall profile shapes are ultimately sensitive to the nature of the order parameter in…

Using density functional theory calculations, the ground state structure of BaFeO$_3$ (BFO) is investigated with local spin density approximation (LSDA). Cubic, tetragonal, orthorhombic, and rhombohedral types BFO are considered to…

We propose a higher-order Skyrme model with derivative terms of eighth, tenth and twelfth order. Our construction yields simple and easy-to-interpret higher-order Lagrangians. We first show that a Skyrmion with higher-order terms proposed…

Phonon frequencies at {\Gamma},X,M,R-points of Brilloin zone in cubic phase of Ba(Ti,Zr,Hf)O3 were first time calculated by frozen phonon method using density functional theory (DFT) with hybrid exchange correlation functional PBE0. The…

The structural phase transitions of MF$_3$ (M=Al, Cr, V, Fe, Ti, Sc) metal trifluorides are studied within a simple Landau theory consisting of tilts of rigid MF$_6$ octahedra associated with soft antiferrodistoritive optic modes that are…