Related papers: Nudged Elastic Bands and Lightly Bound Skyrmions
An accurate description of the low-energy electronic bands in twisted bilayer graphene (tBLG) is of great interest due to their relation to correlated electron phases, such as superconductivity and Mott-insulator behavior at half-filling.…
A possible mechanism for the formation of a 90{\deg} misfit dislocation at the Ge/Si(001) interface through homogeneous nucleation is identified from atomic scale calculations where a minimum energy path connecting the coherent epitaxial…
Topological flat bands at the Fermi level offer a promising platform to study a variety of intriguing correlated phase of matter. Here we present band engineering in the twisted orbital-active bilayers with spin-orbit coupling. The symmetry…
We use the classical BPS soliton solutions of the BPS Skyrme model together with corrections from the collective coordinate quantization of spin and isospin, the electrostatic Coulomb energies, and a small explicit breaking of the isospin…
Popular methods for identifying transition paths between energy minima, such as the nudged elastic band and string methods, typically do not incorporate potential energy curvature information, leading to slow relaxation to the minimum…
We characterize skyrmions in ultrathin ferromagnetic films as local minimizers of a reduced micromagnetic energy appropriate for quasi two-dimensional materials with perpendicular magnetic anisotropy and interfacial Dzyaloshinskii-Moriya…
Path optimization methods have been widely used and highly successful for the analysis of chemical reactions. Yet, they can fail to capture intrinsically multidimensional features of potential energy surfaces (PES). We introduce the nudged…
We present a methodology to investigate phase-diagrams of quantum models based on the principle of the reduced basis method (RBM). The RBM is built from a few ground-state snapshots, i.e., lowest eigenvectors of the full system Hamiltonian…
A method for finding minimum energy paths of transitions in magnetic systems is presented and used to determine the mechanism and estimate the activation energy of skyrmion and antivortex annihiliation in nano-systems. The path is optimized…
An algorithm for the minimization of the energy of magnetic systems is presented and applied to the analysis of thermal configurations of a ferromagnet to identify inherent structures, i.e. the nearest local energy minima, as a function of…
We present a numerical method for simulating rarefied gases that interact with moving boundaries and rigid bodies. The gas is described by the BGK equation in Lagrangian form and solved using an Arbitrary Lagrangian-Eulerian method, in…
The Skyrme model is extended with a sextic derivative term - called the BPS-Skyrme term - and a repulsive potential term - called the loosely bound potential. A large part of the model's parameter space is studied for the 4-Skyrmion which…
The origin of non-dispersive flat band modes for a quasi-one dimensional square-kagome ladder network is explored analytically by virtue of the real space renormalization group (RSRG) technique. A section of the eigenstates is non-diffusive…
The nucleation of vapor bubbles within a superheated fluid is studied using density functional theory. The nudged elastic band technique is used to find the minimum energy pathway from the metastable uniform liquid to the stable uniform gas…
The relatively small binding energy in nuclei suggests that they may be well represented by near-BPS Skyrmions since their mass is roughly proportional to the baryon number $A.$ For that purpose, we propose a generalization of the Skyrme…
A new method for approximating Skyrme solutions is developed. It consists of cutting sections out of the Skyrme crystal and smoothly interpolating between the boundary and spatial infinity. Several field configurations are constructed, and…
The Skyrme model is a classical field theory which models the strong interaction between atomic nuclei. It has to be quantized in order to compare it to nuclear physics. When the Skyrme model is semi-classically quantized it is important to…
The crystalline structure of nuclear matter is investigated in the standard Skyrme model with massive pions. A semi-analytic method is developed to determine local minima of the static energy functional with respect to variations of both…
We present a first-principles method for deriving effective low-energy models of electrons in solids having entangled band structure. The procedure starts with dividing the Hilbert space into two subspaces, the low-energy part ("$d$…
A simple band model such as the effective mass approximation (EMA) can be used to quickly obtain the lower-energy region for the band structure of monolayer molybdenum disulfide. But the EMA band model cannot give the correct description…