Related papers: Intrinsic activation energy for twin wall motion
Manipulating crystal structure and the corresponding electronic properties in quantum materials provides opportunities for the exploration of exotic physics and practical applications. Here, by ultrafast electron diffraction, structure…
We use computer simulation to investigate the topology of the potential energy $V(\{{\bf R}\})$ and to search for doublewell potential's (DWP) in a model glass . By a sequence of Newtonian and dissipative dynamics we find different minima…
A multilevel approach to sample the potential energy surface in a path integral formalism is proposed. The purpose is to reduce the required number of ab initio evaluations of energy and forces in ab initio path integral molecular dynamics…
Distinguished from the system with one order parameter, systems described by two or more order parameters will manifest more complex and much richer phase diagram and critical phenomena. In systems of two order parameters, the phase…
In this work we study the interaction between vortices and nematic domain walls within the framework of a Ginzburg Landau approach. The free energy of the system is written in terms of a complex order parameter characteristic of $s$-wave…
We examine a Peierls ground state and its competing metastable state in the one-dimensional quarter-filled Peierls-Hubbard model with the nearest-neighbor repulsive interaction V and the electron-phonon interaction (\propto 1/K with K being…
Movements of individual domain walls in a ferromagnetic garnet were studied with angstrom resolution. The measurements reveal that domain walls can be locked between adjacent crystallographic planes and propagate by distinct steps matching…
The unexpected emergence of ferroelectricity in HfO2 at reduced dimensions has attracted considerable attention, as it provides a pathway toward the realization of ultrasmall ferroelectric devices. Ab initio calculations suggest that this…
We study the dynamics of three-dimensional Bose-Einstein condensates confined by double-well potentials using a two-mode model with an effective on-site interaction energy parameter. The effective on-site interaction energy parameter is…
We develop and analyze a two-mode phase-field-crystal model to describe fcc ordering. The model is formulated by coupling two different sets of crystal density waves corresponding to <111> and <200> reciprocal lattice vectors, which are…
A vector order parameter phase field model derived from a grand potential functional is presented as a new approach for modeling polycrystalline solidification of alloys. In this approach, the grand potential density is designed to contain…
The interest in the study of spin-Peierls phenomenon has increased with the discovery of copper germanium oxide (CuGeO_3) as an example of spin-Peierls systems. The availability of this inorganic compound as large, high quality single…
This paper presents a two-step Bayesian framework for the estimation of the intrinsic single crystal elastic stiffness parameters from the measurements of spherical indentation stress-strain responses in multiple individual grains of a…
Using the method of anharmonic lattice statics, we calculate the equilibrium structure of steps on 180^o ferroelectric domain walls (DW) in PbTiO_3. We consider three different types of steps: i) Ti-Ti step that joins a Ti-centered DW to a…
The theory of the dislocation motion in the periodic potential relief of the crystal lattice (the Peierls-Nabarro barriers) is reviewed. On the basis of the kink mechanism the temperature dependence of the flow stress is described for a…
A general mechanism by which orbital ordering, coupled to Peierls-like lattice distortions, can induce an electronic switchable polarization is discussed within a model Hamiltonian approach in the context of the modern theory of…
Predicting the strength of materials requires considering various length and time scales, striking a balance between accuracy and efficiency. Peierls stress measures material strength by evaluating dislocation resistance to plastic flow,…
The discrete static properties of a class of deformable double-well potential models are investigated. The Peierls-stress potential of the models is explicitely given. Numerical analysis of the equation of motion reveal different soliton…
We use density functional theory calculations to show that the LaAlO3|SrTiO3 interface between insulating perovskite oxides is borderline in satisfying the Stoner criterion for itinerant ferromagnetism and explore other oxide combinations…
The expression of the free energy density of a classical crystalline system as a gradient expansion in terms of a set of order parameters is developed using classical density functional theory. The goal here is to extend and complete an…