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Flat bands in moir\'e systems are exciting new playgrounds for the generation and study of exotic many-body physics phenomena in low-dimensional materials. Such physics is attributed to the vanishing kinetic energy and strong spatial…
The wave nature of electrons in low-dimensional structures manifests itself in conventional electrical measurements as a quantum correction to the classical conductance. This correction comes from the interference of scattered electrons…
The nature of the correlated phases found in some graphene heterostructures is under debate. We use dynamical mean-field theory (DMFT) to analyze the effect of local correlations close to half-filling on one of such systems, the ABC…
In twisted h-BN/graphene heterostructures, the complex electronic properties of the fast-traveling electron gas in graphene are usually considered to be fully revealed. However, the randomly twisted heterostructures may also have unexpected…
Two-dimensional (2D) materials have become a new territory for exploring novel properties and functionalities because of their superior tunability. The unprecedented tunability of 2D materials is also accompanied by many and equally great…
This manuscript presents the general approach to the understanding of the connection between bonding mechanism and electronic structure of graphene on metals. To demonstrate its validity, two limiting cases of the "weakly" and "strongly"…
Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic…
Using density functional theory calculations, we have examined the structural stability, electronic, magnetic and optical properties of rectangular shaped quantum dots (QDs) of graphene (G), Boron Nitride (BN) and their hybrids. Different…
Optical properties of heterostructures composed of layered 2D materials, such as transition metal dichalcogenides (TMDs) and graphene, are broadly explored. Of particular interest are light-induced energy transfer mechanisms in these…
Using first-principles density functional perturbation theory based calculations of length-dependent lattice thermal conductivity (\k{appa} L ) and using our previously calculated results (Phys Rev B 95 085435 (2017)) of electrical…
Magnetism in graphene is an emerging field that has received much theoretical attention. In particular, there have been exciting predictions for induced magnetism through proximity to a ferromagnetic insulator as well as through localized…
Conjugated polymers are increasingly used as organic mixed ionic-electronic conductors in electrochemical devices for neuromorphic computing, bioelectronics and energy harvesting. The design of efficient applications relies on high…
By using first-principles calculations, we investigated the effects of graphene/boron nitride (BN) encapsulation, surface functionalization by metallic elements (K, Al, Mg and typical transition metals) and molecules…
We investigate the spin-dependent transport properties of a ferromagnetic/strained/normal graphene junctions with central region subjected to a magnetic field $B$. An analytical approach, based on Dirac equation, is implemented to obtain…
A highly intriguing aspect in iron-pnictide superconductors is the composition-dependent electronic structure, in particular the question if and how charge carriers are introduced to the system upon substitution of Ba by alkali metals or of…
In this work, we investigate the possibility of enhancing the thermoelectric power (Seebeck coefficient) in graphene devices by strain and doping engineering. While a local strain can result in the misalignment of Dirac cones of different…
In strongly correlated transition metal dichalcogenides, an intricate interplay of polaronic distortions, stacking arrangement, and electronic correlations determines the nature of the insulating state. Here, we study the response of the…
Spin dependent electron transport measurements on graphene are of high importance to explore possible spintronic applications. Up to date all spin transport experiments on graphene were done in a semi-classical regime, disregarding quantum…
The influence of high-Z dopant (Bromine) in low-Z foam (polystyrene) target on laser-driven fast electron propagation is studied by the 3D hybrid particle-in-cell (PIC)/fluid code HEETS.It is found that the fast electrons are better…
We report the first Raman scattering measurements of BaC$_6$, SrC$_6$, and YbC$_6$, which along with new data on CaC$_6$, permits a systematic study of the phonons and the electron-phonon interaction within the doped graphene layers of…