Related papers: Complex Band Structure for Subwavelength Evanescen…
A remarkable consequence of the Hohenberg-Kohn theorem of density functional theory is the existence of an injective map between the electronic density and any observable of the many electron problem in an external potential. In this work,…
Functional defects in periodic media confine waves - acoustic, electromagnetic, electronic, spin, etc. - in various dimensions, depending on the structure of the defect. While defects are usually modelled by a superlattice with a typical…
We have theoretically investigated two-band models of graded-gap superlattices within the envelope-function approximation. Assuming that the gap varies linearly with spatial coordinate, we are able to find exact solutions of the…
In this paper, we propose an extended plane wave framework to make the electronic structure calculations of the twisted bilayer 2D material systems practically feasible. Based on the foundation in [Y. Zhou, H. Chen, A. Zhou, J. Comput.…
The transformation from evanescent waves to propagation waves is the key mechanism for the realization of some super-resolution imaging methods. By using the recursive Green function and scattering-matrix theory, we investigated in details…
The band gaps, longitudinal and transverse effective masses, and deformation potentials of ScN in the rock-salt structure have been calculated employing G0W0-quasiparticle calculations using exact-exchange Kohn-Sham density functional…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
Spatial gaps correspond to the projection in position space of the gaps of a periodic structure whose envelope varies spatially. They can be easily generated in cold atomic physics using finite-size optical lattice, and provide a new kind…
The adsorption of an alkali-metal submonolayer on graphene occupying every third hexagon of the honeycomb lattice in a commensurate $(\sqrt{3}\times\sqrt{3})R30^\circ$ arrangement induces an energy gap in the spectrum of graphene. To…
We introduce the idea that the electronic band structure of a charge density wave system may mimic the electronic structure of graphene. In that case a class of materials quite different from graphene might be opened up to exploit…
The problem of substructure characteristic modes is developed using a scattering matrix-based formulation, generalizing subregion characteristic mode decomposition to arbitrary computational tools. It is shown that the modes of the…
A general method is presented to unfold band structures of first-principles super-cell calculations with proper spectral weight, allowing easier visualization of the electronic structure and the degree of broken translational symmetry. The…
Here, we present a mechanism for tailoring the photonic band structure of a quarter-wave stack without changing its physical periods by embedding conductive sheets. Graphene is utilized and studied as a realistic, two-dimensional conductive…
Multiple scattering methods are widely used to reduce the computational complexity of acoustic or electromagnetic scattering problems when waves propagate through media containing many identical inclusions. Historically, this numerical…
Two-particle Green's functions and the vertex functions play a critical role in theoretical frameworks for describing strongly correlated electron systems. However, numerical calculations at two-particle level often suffer from large…
We show that resonant frequencies of a system of coupled resonators in a truncated periodic lattice converge to the essential spectrum of corresponding infinite lattice. We use the capacitance matrix as a model for fully coupled resonators…
We have used an eight band model to investigate the electronic structures and to calculate the optical matrix elements of InAs-GaSb broken gap semiconductor heterostructures. The unusual hybridization of the conduction band states in InAs…
Epitaxial bilayer silicon oxide is a transferable two-dimensional material predicted to be a wide band gap semiconductor, with potential applications for deep UV optoelectronics, or as a building block of van der Waals heterostructures. The…
We validate that off-resonant electron transport across {\it ultra-short} oligomer molecular junctions is characterised by a conductance which decays exponentially with length, and we discuss a method to determine the damping factor via the…
We discuss the properties of the transmission function in the k-space for a generic multi-layered structure. In particular we analytically demonstrate that a transmission greater than one in the evanescent spectrum (amplification of the…