Related papers: Electronic structure of periodic curved surfaces -…
We consider a Schroediner operator in a periodic system of strip-like domains coupled by small windows. As the windows close, the domain decouples into an infinite series of identical domains. The operator similar to the original one but on…
We investigate the adsorption of graphene sheets on h-BN substrates by means of first-principles calculations in the framework of adiabatic connection fluctuation-dissipation theory in the random phase approximation. We obtain adhesion…
We present results of self-consistent, full-potential electronic structure calculations for slabs of hexagonal graphite with stacking faults and for slabs with one displaced surface layer. There are two types of stacking faults, which…
The Kronig-Penney model, an exactly solvable one-dimensional model of crystal in solid physics, shows how the allowed and forbidden bands are formed in solids. In this paper, we study this model in the presence of both strong spin-orbit…
Various properties of the energy band structures (electronic, phonon, etc.), including systematic band degeneracy, sticking and extremes, following from the full line group symmetry of the single-wall carbon nanotubes are established. The…
The discretization of the electronic structure of nanometer-size solid systems due to quantum confinement and the concomitant modification of their physical properties is one of the cornerstones for the development of Nanoscience and…
It is demonstrated theoretically that the strong interaction between electrons in periodical structures and a high-frequency electromagnetic field suppresses the Bragg reflection of the electrons. As a result, the band gaps in electron…
The limit relations for the partial derivatives of the two-electron atomic wave functions at the two-particle coalescence lines have been obtained numerically using accurate CFHHM wave functions. The asymptotic solutions of the proper…
The electronic band structure of CeAgSb$_{2}$ has been calculated using the self-consistent full potential nonorthogonal local orbital minimum basis scheme based on the density functional theory. We investigated the electronic structure…
Motivated by recent experiments demonstrating the creation of atomically sharp interfaces between hexagonal sapphire and cubic SrTiO$_3$ with finite twist, we here develop and study a general electronic band theory for this novel class of…
The large variety of complex electronic structure materials and their alloys, offer highly promising directions for improvements in thermoelectric (TE) power factors (PF). Their electronic structure contains rich features, referred to as…
The electronic structures of the ferromagnetic superconductors $\mathrm{UGe}_2$ and $\mathrm{UCoGe}$ in the paramagnetic phase were studied by angle-resolved photoelectron spectroscopy using soft X-rays ($h\nu =400-500$). The quasi-particle…
Predicting the fate of an interacting system in the limit where the electronic bandwidth is quenched is often highly non-trivial. The complex interplay between interactions and quantum fluctuations driven by the band geometry can drive…
In this paper we study the properties of an electron trapped on a torus surface. We consider the influence of surface curvature on the spectrum and the behaviour of the wave function. In addition, the effects of external electric and…
Band formation in periodic media is a central topic in undergraduate solid-state physics, typically introduced through Bloch's theorem as an eigenvalue problem in reciprocal space for infinitely periodic systems. While mathematically…
We develop a novel approach to the coupled motion of electrons and ions that focuses on the dynamics of the electronic subsystem. Usually the description of electron dynamics involves an electronic Schr\"odinger equation where the nuclear…
We study the electronic states of narrow graphene ribbons (``nanoribbons'') with zigzag and armchair edges. The finite width of these systems breaks the spectrum into an infinite set of bands, which we demonstrate can be quantitatively…
We have used scanning tunneling microscopy and spectroscopy to resolve the spatial variation of the density of states of twisted graphene layers on top of a highly oriented pyrolytic graphite substrate. Owing to the twist a moire pattern…
We develop a tight-binding model description of semi-Dirac electronic spectra, with highly anisotropic dispersion around point Fermi surfaces, recently discovered in electronic structure calculations of VO$_2$/TiO$_2$ nano-heterostructures.…
We present a comprehensive first-principles study of the electronic structure of 51 semiconducting monolayer transition metal dichalcogenides and -oxides in the 2H and 1T hexagonal phases. The quasiparticle (QP) band structures with…