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We present ab initio theory for electron reflection spectroscopy of few-layer graphene for arbitrary angles of incidence. The inelastic effects are included in a consistent way using the optical potential retrieved from ab initio…
Spontaneous orbital magnetism observed in twisted bilayer graphene (tBG) on nearly aligned hexagonal boron nitride (BN) substrate builds on top of the electronic structure resulting from combined G/G and G/BN double moire interfaces. Here…
Graphene revealed a number of unique properties beneficial for electronics. However, graphene does not have an energy band-gap, which presents a serious hurdle for its applications in digital logic gates. The efforts to induce a band-gap in…
Angle-resolved photoemission spectroscopy (ARPES) is a powerful experimental technique for directly probing electron dynamics in solids. The energy vs. momentum dispersion relations and the associated spectral broadenings measured by ARPES…
A conversion of AA- to AB-stacking bilayer graphene (BLG) due to interlayer interaction is demonstrated. Two types of interlayer interactions, an attractive and a repulsive, between the Boron and Nitrogen dopant atoms in BLG are found. In…
Twisted graphene bilayers show a complex electronic structure, further modified by interaction effects. The main features can be obtained from effective models, which make use a few phenomenological parameters. We analyze the influence of…
The band structures of strained graphene nanoribbons (GNRs) are examined by a tight binding Hamiltonian that is directly related to the type and strength of strains. Compared to the two-dimensional graphene whose band gap remains close to…
We report on the investigation of periodic superstructures in twisted bilayer graphene (tBLG) van-der-Waals heterostructures, where one of the graphene layers is aligned to hexagonal boron nitride (hBN). Our theoretical simulations reveal…
We study the effects of electrostatic gating on the lateral distribution of charge carriers in two dimensional devices, in a non-linear dielectric environment. We compute the charge distribution using the Thomas-Fermi approximation to model…
Moir\'e superlattices formed at the interface between stacked two-dimensional atomic crystals offer limitless opportunities to design materials with widely tunable properties and engineer intriguing quantum phases of matter. However,…
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…
Generating photogalvanic effects in centrosymmetric materials can provide new opportunities for developing passive photodetectors and energy harvesting devices. In this work, we investigate the photogalvanic effects in centrosymmetric…
Bilayers of graphitic materials have potential applications in field effect transistors (FETs). A potential difference applied between certain ionic bilayers made from insulating graphitic materials such as BN, ZnO and AlN could reduce gap…
We report the fabrication of electrostatically defined nanostructures in encapsulated bilayer graphene, with leakage resistances below depletion gates as high as $R \sim 10~$G$\Omega$. This exceeds previously reported values of $R =~$10 -…
The recently observed unconventional ferroelectricity in AB bilayer graphene sandwiched by hexagonal Boron Nitride (hBN) presents a new platform to manipulate correlated phases in multilayered van der Waals heterostructures. We present a…
Formation of localized impurity levels within the band gap in bigraphene under applied electric field is considered and the conditions for their collectivization at finite impurity concentration are established. It is shown that a…
The unusual electronic and optical properties of armchair and zigzag graphene nanoribbons (GNRs) subject to in-plane transverse electric and perpendicular magnetic fields have been systematically investigated. Our calculations were carried…
We have investigated the electronic structure of graphene supported on Re(0001) before and after the intercalation of one monolayer of Ag by means of angle-resolved photoemission spectroscopy measurements and density functional theory…
Graphene has shown great application opportunities in future nanoelectronic devices due to its outstanding electronic properties. Moreover, its impressive optical properties have been attracting the interest of researchers, and, recently,…
The ability to engineer the electronic band structure and, more strikingly, to access new exotic phase of matter has been the cornerstone of the advance of science and technology. Twisting van der Waals materials to form moir\'e…