相关论文: Ab-initio energetics of graphite and multilayer gr…

Due to low dimensionality, the controlled stacking of the graphene films and their electronic properties are susceptible to environmental changes including strain. The strain-induced modification of the electronic properties such as the…

We study the electronic properties of a twisted trilayer graphene, where two of the layers have Bernal stacking and the third one has a relative rotation with respect to the AB-stacked layers. Near the Dirac point, the AB-twisted trilayer…

The geometric and electronic properties of Bi-adsorbed monolayer graphene, enriched by the strong effect of substrate, are investigated by first-principles calculations. The six-layered substrate, corrugated buffer layer, and slightly…

Few-layer graphene systems come in various stacking orders. Considering tight-binding models for electrons on stacked honeycomb layers, this gives rise to a variety of low-energy band structures near the charge neutrality point. Depending…

In this thesis we will focus on a particular variant of few-layer graphene -- ABA-stacked trilayer graphene. Bernal (ABA) stacked trilayer graphene (TLG) is a multiband system consisting of a pair of Dirac-like massless linear bands and a…

We theoretically study the transport properties of both monolayer and bilayer graphene in the presence of electron-hole puddles induced by charged impurities which are invariably present in the graphene environment. We calculate the…

We investigate theoretically the energy transfer phenomenon in a double-layer graphene (DLG) system in which two layers are coupled due to the Coulomb interlayer interaction without appreciable interlayer tunneling. We use the balance…

Bilayer graphene (BLG) at the charge neutrality point (CNP) is strongly susceptible to electronic interactions, and expected to undergo a phase transition into a state with spontaneous broken symmetries. By systematically investigating a…

We study the stability and electronic structure of magic-angle twisted bilayer graphene on the hexagonal boron nitride (TBG/BN). Full relaxation has been performed for commensurate supercells of the heterostructures with different twist…

We present a theoretical study of the dynamics of H atoms adsorbed on graphene bilayers with Bernal stacking. First, through extensive density functional theory calculations, including van der Waals interactions, we obtain the activation…

The existence of strong trigonal warping around the K point for the low energy electronic states in multilayer (N$\geq$2) graphene films and graphite is well established. It is responsible for phenomena such as Lifshitz transitions and…

The recent observed anomalous Hall effect in magic angle twisted bilayer graphene (TBG) aligned to hexagonal boron nitride (hBN) and unconventional ferroelectricity in Bernal bilayer graphene sandwiched by hBN present a new platform to tune…

Ferroelectricity (Valasek, J. Phys. Rev. 1921, 17, 475) - a spontaneous formation of electric polarisation - is a solid state phenomenon, usually, associated with ionic compounds or complex materials. Here we show that, atypically for…

We investigate the occurrence of magnetic and charge density wave instabilities in rhombohedral-stacked multilayer (three to eight layers) graphene by first principles calculations including exact exchange. Neglecting spin-polarization, an…

In recent times, trilayer graphene has attracted wide attention owing to its stacking and electric field dependent electronic properties. However, a direct and well-resolved experimental visualization of its band structure has not yet been…

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…

A drastic modification of electronic band structure is predicted in bilayer graphene when it is placed between two ferromagnetic insulators. Due to the exchange interaction with the proximate ferromagnet, the electronic energy dispersion in…

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…

We probe electronic excitations between Landau levels in freestanding $N-$layer graphene over a broad energy range, with unprecedented spectral and spatial resolution, using micro-magneto Raman scattering spectroscopy. A characteristic…

Bernal- and non-Bernal-stacked graphene layers have been systematically studied by Raman imaging and spectroscopy. Two dominant Raman modes, G and G' (or 2D) of folded graphene layers exhibit three types of spectral features when interlayer…