Related papers: Electronic band evolution between Lieb and kagome …
Because of its novel physical properties, two-dimensional materials have attracted great attention. From first-principle calculations and vibration frequenceis analysis, we predict a new family of two-dimensional materials based on the idea…
{\it Ab initio} density functional theory calculations are performed to investigate the electronic structure of MoS$_2$ armchair nanoribbons in the presence of an external static electric field. Such nanoribbons, which are nonmagnetic and…
We investigate the electronic structure and transport properties of twisted bilayer graphene (TBLG) at a twist angle of $\theta\approx 1.696\text{{\deg}}$. Using a combination of molecular dynamics and tight-binding calculations, we find…
Electron transport in small graphene nanoribbons is studied by microwave emulation experiments and tight-binding calculations. In particular, it is investigated under which conditions a transport gap can be observed. Our experiments provide…
Nanoribbons of MoS$_2$ present a unique electronic structure that consists of a semiconducting bulk bounded by metallic edges; same holds for other Transition-Metal Dichalcogenides (TMDs) (Mo-,W-,S$_{2}$,Se$_{2}$). We perform…
Materials with kagome lattice have attracted significant research attention due to their nontrivial features in energy bands. In this work, we theoretically investigate the evolution of electronic band structures of kagome lattice in…
We report on the configurations and electronic properties of graphyne and graphdiyne nanoribbons with armchair and zigzag edges investigated with first principles calculations. Our results show that all the nanoribbons are semiconductors…
Optical selection rules for one-dimensional graphene nanoribbons are analytically studied and clarified based on the tight-binding model. A theoretical explanation, through analyzing the velocity matrix elements and the features of…
Properties of bulk and boundaries of materials can, in general, be quite different, both for topological and non-topological reasons. One of the simplest boundary problems to pose is the tight-binding problem of noninteracting electrons on…
This paper presents electronic spectra of zigzag and armchair graphene nanoribbons calculated within the tight-binding model for pi-electrons. Zigzag and armchair nanoribbons of different edge geometries are considered, with surface…
We investigate the electronic transport properties of a folded graphene nanoribbon with monolayer nanoribbon contacts. We consider two possible foldings: either the nanoribbon can be folded onto itself in the shape of a hairpin with the…
We examine the effect of adding PT-symmetric gain and loss terms to quasi 1D lattices (ribbons) that possess flat bands. We focus on three representative cases: (a) The Lieb ribbon, (b) The kagome ribbon, and (c) The stub Ribbon. In general…
Effects of electron-electron and spin-orbit interactions on the ground-state magnetic configuration and on the corresponding thermoelectric and spin thermoelectric properties in zigzag nanoribbons of two-dimensional hexagonal crystals are…
In this work we develop a time-dependent extension of the Landauer-B\"uttiker approach to study transient dynamics in time-dependent quantum transport through molecular junctions. A key feature of the approach is that it provides a closed…
Structural and electronic properties, including deformation, magnetic moment, Mulliken population, bond order as well as electronic transport properties, of zigzag graphene nanoribbon (ZGNR) with Co adatom on hollow site are investigated by…
The electronic properties of a material depend on the spatial freedom of the electron wavefunction. A well-known example is graphite, which is a conventional gapless semiconductor, while a single layer of it, graphene, exhibits extremely…
Recent experimental findings and theoretical predictions suggest that nitrogen-doped CVD-grown graphene may give rise to electronic band gaps due to impurity distributions which favour segregation on a single sublattice. Here we demonstrate…
Germanene nanoribbons, with buckled structures, exhibit unique electronic properties. The complicated relations among the quantum confinement, the spin-orbital coupling, the magnetic quantization, the electric-field dominated quantum…
Lieb and Kagome lattices exhibit two-dimensional topological insulator behavior with $\mathbb{Z}_2$ topological classification when considering spin-orbit coupling. In this study, we used a general tight-binding Hamiltonian with a…
We investigate the interplay between the edge and bulk states, induced by the Rashba spin-orbit coupling, in a zigzag silicene nanoribbon in the presence of an external electric field. The interplay can be divided into two kinds, one is the…