Related papers: Dynamic Local Distortions in Ferroelectrics
A theoretical analysis of the ground state of long-chain (K@C$_{60}$)$_n$ is presented. Within mean field theory, a ferroelectric ground state is found to be stable because of the pseudo-Jahn-Teller mixing of the b$_{1u}$ and the b$_{2g}$…
A full selfconsistent set of equations is deduced to describe the kinetics and dynamics of charged quasiparticles (electrons, holes etc.) with arbitrary dispersion law in crystalline solids subjected to time-varying deformations. The set…
Domain wall dynamics in ferroic materials underpins functionality of data storage and information technology devices. Using localized electric field of a scanning probe microscopy tip, we experimentally demonstrate a surprisingly rich range…
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…
Natural interfaces in ferroic oxides have developed into versatile playgrounds for studying electronic correlation effects in 2D systems. The microscopic origin of the emergent local electronic properties is often debated, however, as…
The dynamics of several light filaments (spatial optical solitons) propagating in an optically nonlinear and non-local random medium is investigated using the paradigms of the physics of complexity. Cluster formation is interpreted as a…
Ferroelectric switching governs the functional properties of ferroelectric perovskites. It is widely accepted that this switching depends on domain nucleation and pinning and that these processes can be controlled by the defect structure.…
Very sensitive responses to external forces are found near phase transitions. However, phase transition dynamics and pre-equilibrium phenomena are difficult to detect and control. We have directly observed that the equilibrium domain…
We present a microscopic model of the quantum paraelectric-ferroelectric phase transition with a focus on the influence of coupled fluctuating phonon modes. These may drive the continuous phase transition first order through a metaelectric…
Structural stability of paramagnetic (PM) body-centered cubic (bcc) Fe under pressure is investigated based on first-principles phonon calculations. Spin configurations of the PM phase are approximated using a binary special quasi-random…
We study the direct laser drive of infrared-active phonons that are quadratically coupled to a spinless fermion chain. Feedback is incorporated by phonon dressing of the electronic dispersion, which enables effective non-linearities in the…
Uncovering pathways to optically drive magnetic order-disorder transitions on ultrashort timescales can lead to the realization of novel out-of-equilibrium quantum phenomena. A long-sought pathway is to directly excite a highly non-thermal…
We present a first-principles investigation of structural and elastic properties of experimentally observed phases of bulk SrRuO$_3$ - namely orthorhombic, tetragonal, and cubic - by applying density functional theory (DFT) approximations.…
We present molecular dynamics simulations of solid NaNO$_2$ using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an \emph{a priori} method which integrates the \emph{ab initio} calculations…
The phase structure of baryonic matter is investigated with focus on the role of fluctuations beyond the mean-field approximation. The prototype test case studied is the chiral nucleon-meson model, with added comments on the chiral…
A realistic theory of the quantum paraelectric - ferroelectric transition is presented, involving parameters determined from band calculations and a renormalization group treatment of critical fluctuations. The effects of reduced…
We extend our previous first-principles theory for perovskite ferroelectric phase transitions to treat also antiferrodistortive phase transitions. Our approach involves construction of a model Hamiltonian from a Taylor expansion,…
We present an ab initio study of the BFCO solid solution formed by multiferroics BiFeO3 (BFO) and BiCoO3 (BCO). We find that BFCO presents a strongly discontinuous morphotropic transition between BFO-like and BCO-like ferroelectric phases.…
Ferroelectric vortices formed through complex lattice-charge interactions have great potential in applications for future nanoelectronics such as memories. For practical applications, it is crucial to manipulate these topological states…
Perovskite oxides are known to exhibit many magnetic, electronic and structural phases as function of doping and temperature. These materials are theoretically frequently investigated by the DFT+U method, typically in their ground state…