Related papers: Relativistic Tight-Binding Model for Hexagonal Lat…
We examine the origin of the formation of narrow bands in LK-99 (Pb$_{9}$Cu(PO$_4$)$_6$O) and the parent compound without the Cu doping using density functional theory calculations and model Hamiltonian studies. Explicit analytical…
We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated by comparing to ab-initio density functional theory…
We introduce twisted trilayer graphene (tTLG) with two independent twist angles as an ideal system for the precise tuning of the electronic interlayer coupling to maximize the effect of correlated behaviors. As established by experiment and…
In the vicinity of the magic angle in twisted bilayer graphene (TBG), the two low-energy van Hove singularities (VHSs) become exceedingly narrow1-10 and many exotic correlated states, such as superconductivity, ferromagnetism, and…
Twisted bilayer graphene exhibits isolated, relatively flat electronic bands near charge neutrality when the interlayer rotation is tuned to specific magic angles. These small misalignments, typically below 1.1{\deg}, result in long-period…
The salient property of the electronic band structure of twisted bilayer graphene (TBG), at the so-called magic angle (MA), is the emergence of flat bands around the charge neutrality point. These bands are associated with the observed…
We investigate twisted double bilayer graphene (TDBG), a four-layer system composed of two AB-stacked graphene bilayers rotated with respect to each other by a small angle. Our ab initio band structure calculations reveal a considerable…
Twisted bilayer graphene (tBLG) provides us with a large rotational freedom to explore new physics and novel device applications, but many of its basic properties remain unresolved. Here we report the synthesis and systematic Raman study of…
We study ferromagnetism and its stability in twisted bilayer graphene. We work with a Hubbard-like interaction that corresponds to the screened Coulomb interaction in a well-defined limit where the Thomas-Fermi screening length…
We construct a heavy fermion representation for twisted bilayer graphene (TBG) systems. Two local orbitals (per spin/valley) are analytically found, which are exactly the maximally localized zero modes of the continuum Hamiltonian near the…
The density functional tight binding approach (DFTB) is well adapted for the study of point and line defects in graphene based systems. After briefly reviewing the use of DFTB in this area, we present a comparative study of defect…
Flat band electronic modes are responsible for superconductivity in twisted bilayer graphene (TBG) rotated at magic angles. From there other magic angles can be found for any multilayered twisted graphene systems. Eventually, this lead to…
We present a detailed theoretical study of bilayer-graphene's electronic properties in the presence of electric and magnetic fields. Using group-theoretical methods, we derive an invariant expansion of the Hamiltonian for electron states…
We present two methods for constructing a flat band (FB) system having a flat energy dispersion over the entire Brillouin zone within tight-binding model, where the resulting Hamiltonian may not be easily obtained by existing methods based…
Twisted graphene bilayers provide a versatile platform to engineer metamaterials with novel emergent properties by exploiting the resulting geometric moir\'{e} superlattice. Such superlattices are known to host bulk valley currents at tiny…
The magnetic properties of a circular graphene nanoribbon (carbon belt) in a magnetic field parallel to its central axis is studied using a tight-binding model. Orbital magnetic susceptibility is calculated using an analytical expression of…
Recent investigations of the magnetic properties and the discovery of superconductivity in quasi-one-dimensional triangular lattice organic charge-transfer solids have indicated the severe limitations of the effective 1/2-filled band…
We present an accurate \textit{ab-initio} tight-binding hamiltonian for the transition-metal dichalcogenides, MoS$_2$, MoSe$_2$, WS$_2$, WSe$_2$, with a minimal basis (the \textit{d} orbitals for the metal atoms and \textit{p} orbitals for…
Twisted double- and mono-bilayer graphene are graphene-based moir\'e materials hosting strongly correlated fermions in a gate-tunable conduction band with a topologically non-trivial character. Using unbiased exact diagonalization…
Magic-angle ($\theta=1.05^\circ$) twisted bilayer graphene (MATBG) has shown two seemingly contradictory characters: the localization and quantum-dot-like behavior in STM experiments, and delocalization in transport experiments. We…