Related papers: Intrinsic activation energy for twin wall motion
We present a study of the spectral properties like the energy spectrum, the eigenmodes and density of states of a classical finite system of two-dimensional (2D) charged particles which are confined by a quadratic potential. Using the…
The statistics of the ground-state and domain-wall energies for the two-dimensional random-bond Ising model on square lattices with independent, identically distributed bonds of probability $p$ of $J_{ij}= -1$ and $(1-p)$ of $J_{ij}= +1$…
We investigate Luttinger Liquid superlattices, a periodic structure composed of two kinds of one-dimensional systems of interacting electrons. We calculate several properties of the low-energy sector: the effective charge and spin…
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…
We study thermal equilibrium of classical pointlike counterions confined between symmetrically charged walls at distance $d$. At very large couplings when the counterion system is in its crystal phase, a harmonic expansion of particle…
Charge and spin-Peierls instabilities in quarter-filled (n=1/2) compounds consisting of coupled ladders and/or zig-zag chains are investigated. Hubbard and t-J models including local Holstein and/or Peierls couplings to the lattice are…
Using Molecular Dynamics simulations based on the effective hamiltonian developed by Zhong, Vanderbilt and Rabe [Phys. Rev. Lett. {\bf 73}, 1861 (1994)] (and fitted on first-principles calculations only), the technique of the thermodynamic…
We present new estimates on the two-dimensional Ginzburg-Landau energy of a type-II superconductor in an applied magnetic field varying between the second and third critical fields. In this regime, superconductivity is restricted to a thin…
The phenomenological theory for the polar instability giving rise to a two-dimensional electron gas at perovskite interfaces is hereby extended to include the coupling to perovskite tilts. A Landau theory for homogeneous tilts is first…
By using modular functions on the upper complex half-plane, we study a class of strain energies for crystalline materials whose global invariance originates from the full symmetry group of the underlying lattice. This follows Ericksen's…
We have employed the semidiscrete variational generalized Peierls-Nabarro model to study the dislocation core properties of aluminum. The generalized stacking fault energy surfaces entering the model are calculated by using first-principles…
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…
We model a binary mixture of passive and active Brownian particles in two dimensions using the effective interaction between passive particles in the active bath. The activity of active particles and the size ratio of two types of particles…
Motivated by the recent finding that doped edge-sharing Cu-O chain compounds like Na$_3$Cu$_2$O$_4$ and Na$_8$Cu$_5$O$_{10}$ are realizations of one-dimensional Wigner crystals, we study the optical spectra of such systems. Charge…
We provide a methodology for generating interatomic potentials for use in classical molecular dynamics simulations of atomistic phenomena occurring at energy scales ranging from lattice vibrations to crystal defects to high energy…
We investigate the dependence of the structural phase transitions in an infinite quasi-one-dimensional system of repulsively interacting particles on the profile of the confining channel. Three different functional expressions for the…
We analyze a two-dimensional phase field model designed to describe the dynamics of crystalline grains. The phenomenological free energy is a functional of two order parameters. The first one reflects the orientational order while the…
A semi-empirical formalism is presented for deriving interatomic potentials for materials such as caesium or cerium which exhibit volume collapse phase transitions. It is based on the Finnis-Sinclair second moment tight binding approach,…
Real-time dynamics of charge density and lattice displacements is studied during photoinduced ionic-to-neutral phase transitions by using a one-dimensional extended Peierls-Hubbard model with alternating potentials for the one-dimensional…
A new one-dimensional fermion model depending on two independent interaction parameters is formulated and solved exactly by the Bethe ansatz method. The Hamiltonian of the model contains the Hubbard interaction and correlated hopping as…