Related papers: A Reciprocal-Space Formulation of Surface Hopping
Accurate representation of interfaces and flux exchange is vital for coupled multiphysics simulations across a broad range of applications. Currently, coupling approaches are limited by the underlying discretization or to specific physical…
A double-layer integral equation for the surface tractions on a body moving in a viscous fluid is derived which allows for the incorporation of a background flow and/or the presence of a plane wall. The Lorentz reciprocal theorem is used to…
We consider the problem of localizing relevant subsets of non-rigid geometric shapes given only a partial 3D query as the input. Such problems arise in several challenging tasks in 3D vision and graphics, including partial shape similarity,…
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…
Starting from {\it ab-initio} band structure for Na$_x$CoO$_2$, we derive the single-electron energies and the effective tight-binding description for the $t_{2g}$ bands using a projection procedure. We find that due to the presence of the…
We investigate non-equilibrium fluctuations of a solid surface governed by the stochastic Mullins-Herring equation with conserved noise. This equation describes surface diffusion of adatoms accompanied by their exchange between the surface…
We performed angle-resolved photoelectron spectroscopy of the Bi(111) surface to demonstrate that this surface support edge states of non-trivial topology. Along the $\bar{\Gamma}\bar{M}$-direction of the surface Brillouin zone, a…
Non-Hermiticity is expected to add far more physical features to the already rich Floquet topological phases of matter. Nevertheless, a systematic approach to characterize non-Hermitian Floquet topological matter is still lacking. In this…
Motivated by the observation of localized circular excitations (`oscillons') in vertically vibrated granular layers (P.B. Umbanhowar, F. Melo and H.L. Swinney, Nature 382 (1996) 793), we numerically investigate an extension of a…
The Nielsen-Thurston theory of surface diffeomorphisms shows that useful dynamical information can be obtained about a surface diffeomorphism from a finite collection of periodic orbits.In this paper, we extend these results to homoclinic…
In previous articles [J. Chem. Phys. 121 4501 (2004), J. Chem. Phys. 124 034115 (2006), J. Chem. Phys. 124 034116 (2006)] a bipolar counter-propagating wave decomposition, Psi = Psi+ + Psi-, was presented for stationary states Psi of the…
We construct an efficient momentum space approach to the superconductivity in quasiperiodic multilayer systems. To this end, we extend the Brillouin zone (BZ) folding method to the superconducting (SC) phases by formulating the gap equation…
A critical result in superconductivity is that flat bands, though dispersionless, can still host nonzero superfluid weight due to quantum geometry. We show that the derivation of the mean field superfluid weight in previous literature is…
Efficient structure search is a major challenge in computational materials science. We present a modification of the basin hopping global geometry optimization approach that uses a curvilinear coordinate system to describe global trial…
We present an overview of pattern formation analysis for an analogue of the Swift-Hohenberg equation posed on the real hyperbolic space of dimension two, which we identify with the Poincar\'e disc D. Different types of patterns are…
By an idealized quantum mechanical model, we formally describe the dispersion of nonretarded electromagnetic waves that express charge density oscillations near a fixed plane in three spatial dimensions (3D) at zero temperature. Our goal is…
Narrow band electron systems are particularly likely to exhibit correlated many-body phases driven by interaction effects. Examples include magnetic materials, heavy fermion systems, and topological phases such as fractional quantum Hall…
The regularized vacuum fluctuation related to a conformally coupled massless scalar field defined on a space-time with dynamical horizon is computed with respect a radially moving observer in a generic flat Friedmann-Robertson-Walker…
We study a one-dimensional chain of identical atoms with two electronic orbitals and two electrons per atom, subject to an external oscillating pressure that periodically modulates the lattice spacing. This leads to time-dependent intra-…
A tight-binding model for $e_g$ orbitals on a simple cubic lattice with finite thickness is investigated. The hopping integrals for nearest-neighboring sites are considered. We examine the electronic band structures for systems with (001),…