Related papers: Lattice Green's function for crystals containing a…
In this article we derive the lattice Green Functions (GFs) of graphene using a Tight Binding Hamiltonian incorporating both first and second nearest neighbour hoppings and allowing for a non-orthogonal electron wavefunction overlap. It is…
The main problem in theoretical analysis of structures with strong confinement is the fact that standard mathematical tools: differential equations and Fourier's transformations are no longer applicable. In this paper we have demonstrated…
The energy dependent Green's function for an interface Hamiltonian which interpolates between two and three dimensions can be calculated explicitly. This yields an expression for the density of states on the interface which interpolates…
We investigate the interacting, one-dimensional Rice-Mele model, a prototypical fermionic model of topological properties. To set the stage, we firstly compute the single-particle spectral function, the local density, and the boundary…
Metal-semiconductor contacts are a pillar of modern semiconductor technology. Historically, their microscopic understanding has been hampered by the inability of traditional analytical and numerical methods to fully capture the complex…
We consider the Casimir interaction, mediated by massless fermions, between a spherical defect and a flat potential barrier, assuming hard (bag-type) boundary conditions at both the barrier and the surface of the sphere. The computation of…
Ab initio formulations of the interlayer exchange coupling (IEC) between two, in general non-collinearly aligned magnetic slabs embedded in a non-magnetic spacer are reviewed whereby both the spacer and the magnetic slabs as well as their…
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A…
We study the spectral function of interacting one-dimensional fermions for an integrable lattice model away from half-filling. The divergent power-law singularity of the spectral function near the single-particle or single-hole energy is…
We present a novel method for fluid structure interaction (FSI) simulations where an original 2nd-order curved space lattice Boltzmann fluid solver (LBM) is coupled to a finite element method (FEM) for thin shells. The LBM can work…
The local and overall responses of nonlinear composites are classically investigated by the Finite Element Method. We propose an alternate method based on Fourier series which avoids meshing and which makes direct use of microstructure…
We present an unfitted boundary algebraic equation (BAE) method for solving elliptic partial differential equations in complex geometries. The method employs lattice Green's functions on infinite regular grids combined with discrete…
The pseudopotential model within the Lattice Boltzmann Method (LBM) framework has emerged as a prominent approach in computational fluid dynamics due to its dual strengths in physical intuitiveness and computational tractability. However,…
Localised defect modes generated by a finite line defect composed of several masses, embedded an infinite square cell lattice, are analysed using the linear superposition of Green's function for a single mass defect. Several representations…
We consider a small interacting sample coupled to several non-interacting leads. Initially, the system is at thermal equilibrium. At some instant $t_0$ the system is set into the so called partition-free transport scenario by turning on a…
Atomic diffusion affects the properties of various engineering materials, which predominantly occur in the polycrystalline state. A rigorous description of polycrystalline diffusion must therefore account for crystallographic defects,…
Flexible barriers are increasingly used for the protection from debris flow in mountainous terrain due to their low cost and environmental impact. However, a numerical tool for rational design of such structures is still missing. In this…
As a generic example for crystals where the crystal-fluid interface tension depends on the orientation of the interface relative to the crystal lattice axes, the nearest neighbor Ising model on the simple cubic lattice is studied over a…
The transport of a passive scalar restricted on interfaces, which is advected by the fluid motions have numerous applications in multiphase transport phenomena. A prototypical example is the advection-diffusion of the concentration field of…
The magnon Hedin's equations are derived via the Schwinger functional derivative technique, and the resulting self-consistent Green's function method is used to calculate ground state spin patterns and magnetic structure factors for…