相关论文: Electronic structure of stacking faults in hexagon…

DFT calculations of the electronic structure of graphane and stoichiometrically halogenated graphene derivatives (fluorographene and other analogous graphene halides) show (i) localized orbital basis sets can be successfully and effectively…

We apply the mean-field Hartree Fock theory of gapped electronic states at charge neutrality in bilayer graphene to thin films of rhombohedral graphite with up to thirty layers. For the ground state, the order parameter (the separation of…

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…

From the analysis of the cyclotron resonance, we experimentally obtain the band structure of the three-dimensional topological insulator based on a HgTe thin film. Top gating was used to shift the Fermi level in the film, allowing us to…

A flat energy dispersion of electrons at the Fermi level of a material leads to instabilities in the electronic system and can drive phase transitions. Here we introduce a method to induce a flat band in two-dimensional (2D) materials. We…

Hexagonal SiGe is a promising material for combining electronic and photonic technologies. In this work, the energetic, structural, elastic and electronic properties of the hexagonal polytypes (2$H$, 4$H$ and 6$H$) of silicon and germanium…

The electronic properties and optical excitations are investigated in the geometry- and field-modulated bilayer graphene systems, respectively, by using the tight-binding model and Kubo formula. The stacking symmetry of bilayer graphene can…

Using density functional theory calculations we investigate the electronic structure of graphene doped by deposition of foreign atoms. We demonstrate that, as the charge transfer to the graphene layer increases, the band structure of the…

We study the electronic structure of the junctions between a single graphene layer and carbon nanotubes, using a tight-binding model and the continuum theory based on Dirac fermion fields. The latter provides a unified description of…

Motivated by recent scanning tunneling microscopy experiments on surfaces of Bi$_{1-x}$Sb$_{x'}$\cite{yazdanistm,gomesstm} and Bi$_2$Te$_3$,\cite{kaptunikstm,xuestm} we theoretically study the electronic structure of a 3-dimensional (3D)…

We elaborate that single-layer graphene with periodic vacancies can have a band structure containing nodal lines or nodal loops, opening the possibility of graphene-based electronic or spintronic devices with novel functionalities. The…

Electronic structures and their Landau quantizations in twisted graphene bilayer and trilayer are investigated using scanning tunnelling microscopy and spectroscopy. In the twisted trilayer, the top graphene layer and second layer are AB…

The $\pi$-electronic structure of graphene in the presence of a modulated electric potential is investigated by the tight-binding model. The low-energy electronic properties are strongly affected by the period and field strength. Such a…

In this review, we present recent works on materials whose common point is the presence of electronic bands of very low dispersion, called "flat bands", which are due to specific atomic order effects without electron interactions. These…

We present an in-depth analysis of the electronic and vibrational band structure of uniaxially strained graphene by ab-initio calculations. Depending on the direction and amount of strain, the Fermi crossing moves away from the $K$-point.…

Moir\'e superlattices in twisted homo-bilayers have revealed exotic electronic states, including unconventional superconductivity and correlated insulating phases. However, their fabrication process often introduces moir\'e disorders,…

Layered Zintl compounds exhibit significant tunability of thermoelectric (TE) parameters facilitated by their multiple elemental combinations and flexibility in stacking order within the layers. In this work, the effect of stacking order on…

We present an angle-resolved photoemission spectroscopy study of the electronic structure of SnTe, and compare the experimental results to ab initio band structure calculations as well as a simplified tight-binding model of the p-bands. Our…

We have studied the electronic band properties of 2H-SiC and 4H-SiC silicon carbide polytypes. The structures of the electronic bands and density of state (DOS) using ab initio Density Functional Theory (DFT) were calculated for the first…

Using density-functional theory, we calculate the electronic bandstructure of single-layer graphene on top of hexagonal In_2Te_2 monolayers. The geometric configuration with In and Te atoms at centers of carbon hexagons leads to a Kekule'…