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A scalable tight-binding model is applied for large-scale quantum transport calculations in clean graphene subject to electrostatic superlattice potentials, including two types of graphene superlattices: moir\'e patterns due to the stacking…
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'…
We experimentally investigated the properties of graphite layers produced by an easy and non-conventional method of repeatedly rubbing conventional random stacked graphite bulk against insulating and semiconductor substrates. The patterned…
Graphene is intrinsically non-flat and corrugates randomly. Since the corrugating physics of atomically-thin graphene is strongly tied to its electronics properties, randomly corrugating morphology of graphene poses significant challenge to…
We investigate interlayer adhesion and relaxation at interfaces between graphene and hexagonal boron nitride (hBN) monolayers in van der Waals heterostructures. The adhesion potential between graphene and hBN is calculated as a function of…
In great contrast to the numerous discoveries of superconductivity in layer-stacked graphene systems, the absence of superconductivity in the simplest and cleanest monolayer graphene remains a big puzzle. Here, through realistic computation…
We study theoretically the effects of short-range electron-electron interactions on the electronic structure of graphene, in the presence of single substitutional impurities. Our computational approach is based on the $\pi$ orbital…
Density-functional theory calculations with spin-polarized generalized gradient approximation and Hubbard $U$ correction is carried out to investigate the mechanical, structural, electronic and magnetic properties of graphitic heptazine…
Breaking the intrinsic chirality of quasiparticles in graphene enables the emergence of new and intriguing phases. One such paradigmatic example is the bond density wave, which leads to a Kekul\'{e}-ordered structure and underpins exotic…
The hexagonal structure of graphene gives rise to the property of gas impermeability, motivating its investigation for a new application: protection of semiconductor photocathodes in electron accelerators. These materials are extremely…
We present full description of spectra for a Hamiltonian defined on periodic hexagonal elastic lattices. These continua are constructed out of Euler-Bernoulli beams, each governed by a scalar-valued self-adjoint operator, which is also…
The thriving area of synthetic carbon allotropes witnesses theoretic proposals and experimental syntheses of many new two-dimensional ultrathin structures, which are often achieved by careful arrangement of non-hexagon $\mathrm{sp^2}$…
Two-dimensional (2D) magnetic materials integrated with graphene offer a compelling platform for next-generation spintronic devices, yet nickel in its 2D form remains largely unexplored, due to fundamental synthesis limitations. Here, we…
Graphene and its heterostructures exhibit interesting electronic properties and are explored for quantum spin Hall effect(QSHE) and magnetism based device applications. In present work, we propose a heterostructure of graphene encapsulated…
In this Ph.D. thesis a model for graphene in presence of quantized electromagnetic interactions is introduced. The zero and low temperature properties of the model are studied using rigorous renormalization group methods and lattice Ward…
Based on first principles calculation, the electronic properties of graphene on metal (Ti, Ca, Ni, Mn, Co, Fe, Cr, K) modified SiO2 substrate have been studied. The results of binding energies supported graphene indicate that the metal…
Graph embeddings have emerged as a powerful tool for representing complex network structures in a low-dimensional space, enabling the use of efficient methods that employ the metric structure in the embedding space as a proxy for the…
We combine large-scale atomistic modelling with continuum elastic theory to study the shapes of graphene sheets embedding nanoscale kirigami. Lattice segments are selectively removed from a flat graphene sheet and the structure is allowed…
We present a scanning tunneling microscopy (STM) study of a gently-graphitized 6H-SiC(0001) surface in ultra high vacuum. From an analysis of atomic scale images, we identify two different kinds of terraces, which we unambiguously attribute…
Graphene outstanding properties directly come from its pecular electronic structure and thus from the honeycomb lattice symmetry. The way interaction with the substrate impact this lattice is of primary importance. This is peculiarly true…