Related papers: Intrinsic activation energy for twin wall motion
In body-centered cubic (bcc) crystals, ${1}{2}111$ screw dislocations exhibit high intrinsic lattice friction as a consequence of their non-planar core structure, which results in a periodic energy landscape known as the Peierls potential,…
For the one-dimensional, extended Peierls--Hubbard model we calculate analytically the ground-state energy and the single-particle gap to second order in the Coulomb interaction for a given lattice dimerization. The comparison with…
The photoexcited dynamics of order parameter in Peierls chain is investigated by using a microscopic quantum theory in the limit where the hot electrons may establish themselves into a quasi-equilibrium state described by an effective…
The fully two-dimensional Peierls barrier map of screw dislocations in BCC iron has been calculated using the first principles method to identify the migration path of a dislocation core. An efficient method to correct the effect of the…
We study the dynamics of magnetic domain walls in the Peierls potential due to the discreteness of the crystal lattice. The propagation of a narrow domain wall (comparable to the lattice parameter) under the effect of a magnetic field…
Recent theoretical work has predicted the existence of a "dipole spiral" structure in strained freestanding membranes of PbTiO$_3$, suggesting a potential route to enhanced electromechanical responses…
We start from the polynomic interatomic potentials introduced by Wojde{\l} et al. [J. Phys. Condens. Matt. 25, 305401(2013)] and take advantage of one of their key features -- namely, the linear dependence of the energy on the potential's…
It has been suggested that the metal-insulator transitions in a number of spinel materials with partially-filled t_2g d-orbitals can be explained as orbitally-driven Peierls instabilities. Motivated by these suggestions, we examine…
The application of pressure can induce transitions between unconventional quantum phases in correlated materials. The inorganic compound TiOCl, composed of chains of S=1/2 Ti ions, is an ideal realization of a spin-Peierls system with a…
Peierls-type instabilities in quarter-filled ($\bar{n}=1/2$) and half-filled ($\bar{n}=1$) quantum double-well hydrogen-bonded chain are investigated analytically in the framework of two-stage orientational-tunnelling model with additional…
We report a classical interatomic force field for TiO$_2$, which has been parameterized using density functional theory forces, energies, and stresses in the rutile crystal structure. The reliability of this new classical potential is…
We construct an effective field theory, a two-dimensional two-component metallic system described by a model with two Fermi surfaces ("pockets"). This model describes a translationally invariant metallic system with two types of fermions,…
In the paper, the description of the dielectric and ferroelectric properties of BaTiO_3 single crystals using Landau thermodynamic potential is addressed. Our results suggest that when using the sixth-power free energy expansion of the…
We present a scheme to construct model potentials, with parameters computed from first principles, for large-scale lattice-dynamical simulations of materials. Our method mimics the traditional solid-state approach to the investigation of…
We report an investigation of charge, spin and lattice effects in the spin-Peierls state of the organic compound MEM(TCNQ)$_2$. The 16.5 GHz dielectric function along the chain axis shows an enhancement below the spin-Peierls transition…
A phenomenological treatment of domain walls based on the Ginzburg-Landau-Devonshire theory is developed for uniaxial, trigonal ferroelectrics lithium niobate and lithium tantalate. The contributions to the domain wall energy from…
The behavior of PbTiO$_3$ under uniaxial strains and stresses is investigated from first-principles calculations within density functional theory. We show that irrespectively of the uniaxial mechanical constraint applied, the system keeps a…
Lattice effects on the kink families of two models for one-dimensional nonlinear Klein-Gordon systems with double-well on-site potentials are considered. The analytical expression of the generalized Peierls-Nabarro pinning potential is…
We present a mean-field description of the zig-zag phase transition of a quasi-one-dimensional system of strongly interacting particles, with interaction potential $r^{-n}e^{-r/\lambda}$, that are confined by a power-law potential…
We propose a mean-field, phenomenological Ginzburg-Landau free energy functional with two competing order parameters for a two-component, spin-polarized Fermi gas. This free energy supports a tricritical point which is different from the…