Related papers: Electronic structure of stacking faults in hexagon…
The electronic structure including energy bands, band weights, and local density of states (LDOS) of interfaces between hexagonal (AB) and rhombohedral (ABC) graphite has been has been calculated. The full-potential local-orbital code…
Using the tight-binding model of graphite, incorporating all Slonczewski-Weiss-McClure parameters, we compute the spectrum of two-dimensional states of electrons bound to a stacking fault in Bernal graphite. We find that those bands retain…
We have performed density functional theory (DFT) calculations to characterize the energetics, and the atomic and electronic structure, of stacking faults in GaN, both in the stable hexagonal wurtzite (wz) phase and in the metastable cubic…
Stacking geometry in multilayer graphene (MLG) provides an interesting degree of freedom to engineer its electronic structure near the Fermi level, wherein the linear bands in single layer graphene could retain or evolve into parabolic or…
Motivated by the indications of high-Tc superconductivity in natural graphite enriched in the rhombohedral phase, we study the band structure of several stacking configurations that combine two of the three graphite structures as well as…
Flat bands in graphitic materials emerged as a platform for realizing tunable correlated physics. As a nodal-line semimetal, rhombohedral graphite features flat drumhead surface states in the vicinity of the Dirac points, which carry a…
First principles density functional calculations of the electronic and magnetic properties of spinel-structure LiV$_{2}$O$_{4}$ have been performed using the full potential linearized augmented planewave method. The calculations show that…
We investigate gated multilayer graphene with stacking order change along the armchair direction. We consider some layers cracked to release shear strain at the stacking domain wall. The energy cones of graphene overlap along the…
Electronic flat bands in momentum space, arising from strong localization of electrons in real space, are an ideal stage to realize strong correlation phenomena. In certain lattices with built-in geometrical frustration, electronic…
The electronic shell structure of triangular, hexagonal and round graphene quantum dots (flakes) near the Fermi level has been studied using a tight-binding method. The results show that close to the Fermi level the shell structure of a…
A systematic review is made for the AA-, AB- and ABC-stacked graphites. The generalized tight-binding model, accompanied with the effective-mass approximation and the Kubo formula, is developed to investigate electronic and optical…
Heterostructures of stacked two-dimensional lattices have shown great promise for engineering novel material properties. As an archetypal example of such a system, the hexagon-shared honeycomb-kagome lattice has been experimentally…
We present electronic band structure of Ag$_5$Pb$_2$O$_6$ with layered hexagonal structure containing one-dimensional chains and two-dimensional Kagom\'{e} layers of silver. A half-filled conduction band shows extremely simple, single…
We study the electronic structure of multilayer graphenes with a mixture of Bernal and rhombohedral stacking and propose a general scheme to understand the electronic band structure of an arbitrary configuration. The system can be viewed as…
Graphene antidot lattices have recently been proposed as a new breed of graphene-based superlattice structures. We study electronic properties of triangular antidot lattices, with emphasis on the occurrence of dispersionless (flat) bands…
We studied experimentally and theoretically the electronic local density of states (LDOS) near single step edges at the surface of exfoliated graphite. In scanning tunneling microscopy measurements, we observed the $(\sqrt{3} \times…
Newly discovered Bi-O-S compounds remain an enigma in attempts to understand their electronic properties. A recent study of Bi$_{4}$O$_{4}$S$_{3}$ has shown it to be a mixture of two phases, Bi$_{2}$OS$_{2}$ and Bi$_{3}$O$_{2}$S$_{3}$, the…
We analyze, within a minimal model that allows analytical calculations, the electronic structure and Landau levels of graphene multi-layers with different stacking orders. We find, among other results, that electrostatic effects can induce…
Electronic structure of graphene monolayer-bilayer junction in a magnetic field is studied within an effective-mass approximation. The energy spectrum is characterized by interface Landau levels, i.e., the locally flat bands appearing near…
A DFT-based investigation of rhombohedral (ABC)-type graphene stacks in finite static electric fields is presented. Electronic band structures and field-induced charge densities are compared with related literature data as well as with own…