Related papers: Finite-Temperature Atomic Structure of 180^o Ferro…

Local conduction at domains and domains walls is investigated in BiFeO3 thin films containing mostly 71o domain walls. Measurements at room temperature reveal conduction through 71o domain walls. Conduction through domains could also be…

$\rm SrRuO_3$ is an itinerant ferromagnet with $T_c \sim 150 \rm K$. When $\rm SrRuO_3$ is cooled through $T_c$ in zero applied magnetic field, a stripe domain structure appears whose orientation is uniquely determined by the large uniaxial…

We study resistivity temperature dependence of a three dimensional metamagnet near the metamagnet phase transition point in the case when magnetic structure tends to split into regions with high and low magnetization. We show that in the…

Domain walls in ferroelectrics exhibit a plethora of phases and functionalities not found in the bulk. The interplay of electrostatic, chemical, topological, and distortive inhomogeneities at the walls can be so complex, however, that this…

A thermodynamic theory is developed for dense laminar domain structures in epitaxial ferrolectric films. It is found that, at some critical misfit strain between the film and substrate, the 90 degrees c/a/c/a domain structure becomes…

Flexoelectric effect is the coupling between strain, polarization and their gradients, which are prominent at the nanoscale. Although this effect is important to understand nanostructures, such as domain walls in ferroelectrics, its…

We report second-principles simulations on the structural and energetic properties of domains in (PbTiO$_{3}$)$_{n}$/(SrTiO$_{3}$)$_{n}$ superlattices. For the explored layer thickness ($n$ ranging between 8 and 16 unit cells) and lateral…

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…

In this paper we extend the classical method of lattice dynamics to defective crystals with partial symmetries. We start by a nominal defect configuration and first relax it statically. Having the static equilibrium configuration, we use a…

The structural phase diagram of the Pb-free ferroelectric (Na1/2Bi1/2)1-xBaxTiO3 (NBT-BT), x<0.1, has been explored by Raman spectroscopy at temperatures from 10 to 470 K. The data provide clear evidence for a proposed…

Colossal magnetoresistance and field-induced ferromagnetism are well documented in manganite compounds. Since domain wall resistance contributes to magnetoresistance, data on the temperature and magnetic field dependence of the…

We report first-principle atomistic simulations on the effect of local strain gradients on the nanoscale domain morphology of free-standing PbTiO$_3$ ultrathin films. First, the ferroelectric properties of free films at the atomic level are…

Halide perovskites are strongly influenced by large amplitude anharmonic lattice fluctuations at room temperature. We develop a tight binding model for dynamically disordered MAPbI$_3$ based on density functional theory (DFT) calculations…

We perform hybrid Monte-Carlo (HMC) simulation of lattice QCD with $N_f=2+1+1$ domain-wall quarks at the physical point, on the $64^3 \times (64,20,16,12,10,8,6)$ lattices, each with three lattice spacings. The lattice spacings and the bare…

This paper analyzes a peculiar phenomenon of non-reciprocal domain wall pairs and illustrate the implications in ab-initio-based atomistic computational experiments with (112)-oriented planar R180 domain walls within the canonical…

Using Landau-Ginzburg-Devonshire theory we describe 180-degree domain wall structure, intrinsic energy and carrier accumulation in rhombohedral phase of BaTiO3 as a function of the wall orientation and flexoelectric coupling strength. Two…

Mechanically bent nickel nanowires show clear features in their room temperature magnetoresistance when a domain wall is pinned at the location of the bend. By varying the direction of an applied magnetic field, the wire can be prepared…

A single crystal of lead-zirconate-titanate (PZT), composition Pb(Zr0.80Ti0.20)O3, was studied by polarized-Raman scattering as a function of temperature. Raman spectra reveal that the local structure deviates from the average structure in…

Highly-strained BiFeO3 exhibits a "tetragonal-like, monoclinic" crystal structure found only in epitaxial films (with an out-of-plane lattice parameter exceeding the in-plane value by >20%). Previous work has shown that this phase is…

An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…