Related papers: Intrinsic activation energy for twin wall motion
Atomistic computations of the Peierls stress in fcc metals are relatively scarce. By way of contrast, there are many more atomistic computations for bcc metals, as well as mixed discrete-continuum computations of the Peierls-Nabarro type…
We show how to construct Landau-like free energy potentials using a machine-learning approach. For concreteness, we focus on perovskite oxide PbTiO$_{3}$. We work with a training set obtained from Monte Carlo simulations based on an…
The electronic properties of quarter-filled organic materials showing spin-Peierls transition are investigated theoretically. By studying the one-dimensional extended Peierls-Hubbard model analytically as well as numerically, we find that…
We study a Ginzburg-Landau model of structural phase transition in two dimensions, in which a single order parameter is coupled to the tetragonal and dilational strains. Such elastic coupling terms in the free energy much affect the phase…
We reexamine two essential issues within the Peierls-Nabarro model which are critical in obtaining accurate values for the Peierls stress. The first issue is related to the sampling scheme of the misfit energy across the glide plane and the…
The one-dimensional (1D) model system Au/Ge(001), consisting of linear chains of single atoms on a surface, is scrutinized for lattice instabilities predicted in the Peierls paradigm. By scanning tunneling microscopy and electron…
Many ferroelastic crystals display at sufficiently low measurement frequencies a huge elastic softening below Tc which is caused by domain wall motion. Materials range from perovskites to iron based superconductors and shape memory…
The metallurgy and materials communities have long known and exploited fundamental links between chemical and structural ordering in metallic solids and their mechanical properties. The highest reported strength achievable through the…
We measure the colossal permittivity in single crystal Fe$_2$TiO$_5$ using broadband spectroscopy in the frequency range 20 Hz - 1 MHz. The relaxation response is analyzed using a Debye-like model with Arrhenius activation in two different…
The question of the origin of the piezoelectric properties enhancement in perovskite ferroelectrics is approached by analyzing the Gibbs free energy of tetragonal BaTiO3, PbTiO3 and Pb(Zr,Ti)O3 in the framework of the…
A model predicting the structure of repulsive, spherically symmetric, monodisperse particles confined between two walls is presented. We study the buckling transition of a single flat layer as the double layer state develops. Experimental…
BaTiO$_3$ (BTO) is a prototypical perovskite ferroelectric, whose dielectric permittivity and loss spectra -- which are strongly temperature and frequency dependent -- include contributions from inhomogeneous polarization patterns, with…
We investigate the exotic Peierls state in the one-dimensional organic compound (EDO-TTF)_{2}X, wherein the Peierls transition is accompanied by the bending of molecules and also by a fourfold periodic array of charge disproportionation…
By utilizing the twisted boundary conditions in the exact diagonalization method, we investigate the single-particle spectral function of the extended Peierls-Hubbard model at both half-filling and quarter filling. In one-dimensional (1D)…
We use atomistic simulations to study the interactions between two-dimensional domain walls and Sr inclusions in the prototypical ferroelectric BaTiO$_3$. Based on nudged elastic band calculations we predict that the energy barrier for…
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…
We investigate the dynamics of a Bose-Einstein condensate in a one-dimensional ring-shaped lattice with the Peierls phase and site-dependent modulations, where the condensate is confined in a single deep trap and the interparticle…
I investigate the vortex lattice structure of the Ginzburg Landau free energy for a two component order parameter in the weak-coupling clean-limit when the field is along the high symmetry axis in a tetragonal crystal. It is shown that the…
The continuous phase transition, indicated by the macroscopic order parameter and the occurrence of the spontaneous symmetry breaking, is well illustrated based on the Ginzburg-Landau's paradigm. In systems described by one order parameter,…
A formalism for semi-adiabatic cranking mass parameters is presented. For the fission process of 234U, the time-dependent pairing equations of motion were used to calculate the excitation energy and to extract values of the cranking…