Related papers: Polarization Saturation in Strained Ferroelectrics
We explore the inelastic electron scattering in SrTiO3, PbTiO3, and SiC in their phonon energy range, challenging the assumption that phonon polaritons are excluded at large angles in high-resolution transmission electron energy-loss…
Electric-field control of spin-dependent properties has become one of the most attractive phenomena in modern materials research due the promise of new device functionalities. One of the paradigms in this approach is to electrically toggle…
The emerging interest in two-dimensional electron gases (2DEGs), formed at interfaces between two insulating oxide perovskites poses crucial fundamental question in view of future electronic devices. In the framework of density-functional…
Rectifying semiconductor junctions are crucial to electronic devices. They convert alternating current into direct one by allowing unidirectional charge flows. In analogy to the current-flow rectification for itinerary electrons, here, a…
We introduce an open-source, fully atomistic second-principles interatomic potential for lead titanate (PbTiO3), a benchmark ferroelectric material known for its strong polarization and hightemperature phase transitions. While density…
The changes of polarizational, elastic and structural properties of mutiferroic BiFeO3 under [111] direction uniaxial stress are calculated using density functional theory within the Perdew-Burke- Ernzerhof revised for solids (PBEsol) + U…
Trimerization-polarization domains in ferroelectric hexagonal YMnO$_3$ were resolved in all three spatial dimensions by piezoresponse force microscopy. Their topology is dominated by electrostatic effects with a range of 100 unit cells and…
We use first principles density functional theory to investigate the softening of polar phonon modes in rutile TiO$_2$ under tensile (110)-oriented strain. We show that the system becomes unstable against a ferroelectric distortion with…
Perovskite BaSnO3 has an Sn s-orbital conduction band minimum, which makes it of interest as a transparent-conducting oxide parent compound but also contraindicates the ferroelectric instability characteristic of the related compound…
The challenge of achieving ultrafast switching of electric polarization in ferroelectric materials remains unsolved, as there is no experimental evidence of such switching to date. In this study, we have developed an enhanced model that…
We study the dependence of macroscopic polarization on composition and strain in wurtzite III-V nitride ternary alloys using ab initio density-functional techniques. The spontaneous polarization is characterized by a large bowing, strongly…
A complete understanding of the mechanisms for dielectric relaxation in relaxor ferroelectrics remains elusive. We used a structural refinement framework that integrates several types of experimental data to identify the nanoscale…
Based on a first-principles based multiscale approach, we study the polarity (P) of ferroelastic twin walls in SrTiO$_3$. In addition to flexoelectricity, which was pointed out before, we identify two new mechanisms that crucially…
Recent interests towards novel functionalities arising at domain walls of ferroic materials naturally call for a microscopic understanding. To this end, first-principles calculations have been performed in order to provide solid evidence of…
Ferroelectric materials are characterized by a spontaneous polar distortion. The behavior of such distortions in the presence of free charge is the key to the physics of metallized ferroelectrics in particular, and of structurally-polar…
Freestanding ferroelectric membranes have emerged as a versatile tool for strain engineering, enabling the exploration of ferroelectric properties beyond traditional epitaxy. The resulting ferroelectric domain patterns stem from the balance…
A modified model of metal-semiconductor contacts is applied to analyze the capacitance-voltage and current-voltage characteristics of metal-ferroelectric-metal structures. The ferroelectric polarization is considered as a sheet of surface…
We have systematically investigated the low-temperature electron dephasing times $\tau_\phi$ in more than 40 three-dimensional polycrystalline impure metals with distinct material characteristics. In all cases, a saturation of the dephasing…
A pronounced uniform polar distortion extending over several unit cells enables thin LaAlO3 overlayers on SrTiO3(001) to counteract the charge dipole and thereby neutralize the "polarization catastrophe" that is suggested by simple…
The effect of a variety of intrinsic defects and defect clusters in bulk and thin films of SrTiO$_3$ on ferroelectric polarization and switching mechanism is investigated by means of density-functional-theory (DFT) based calculations and…