Related papers: Relaxation Effects in Twisted Bilayer Graphene: a …
Recent experimental and theoretical investigations demonstrate that twisted trilayer graphene (tTLG) is a highly tunable platform to study the correlated insulating states, ferromagnetism, and superconducting properties. Here we explore the…
We investigate magnetic instabilities in charge-neutral twisted bilayer graphene close to so-called "magic angles" using a combination of real-space Hartree-Fock and dynamical mean-field theories. In view of the large size of the unit cell…
The electronic properties of van der Waals (vdW) structures can be substantially modified by the moire superlattice potential, which strongly depends on the twist angle among the compounds. In twisted bilayer graphene (TBG), two low-energy…
Graphene on $L1_0$-FePd(001), which has been experimentally studied in recent years, is a heterogeneous interface with a significant lattice symmetry mismatch between the honeycomb structure of graphene and tetragonal alloy surface. In this…
Evidence of flat-band magnetism and half-metallicity in compressed twisted bilayer graphene is provided with first-principles calculations. We show that dynamic band-structure engineering in twisted bilayer graphene is possible by…
Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…
Two monolayers of graphene twisted by a small `magic' angle exhibit nearly flat bands leading to correlated electronic states and superconductivity, whose precise nature including possible broken symmetries, remain under debate. Here we…
Twisting bilayer sheets of graphene have been proven to be an efficient way to manipulate the electronic Dirac-like properties, resulting in flat bands at magic angles. Inspired by the electronic model, we develop a continuum model for the…
The structural relaxation of multilayer graphene is essential in describing the interesting electronic properties induced by intentional misalignment of successive layers, including the recently reported superconductivity in twisted bilayer…
The experimental control over the twist angle in twisted bilayer graphene has not been reported and its realistic structure is most likely incommensurate. In this paper, we develop a tight-binding virtual crystal approximation theory to…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…
The electronic properties of twisted bilayer graphene (TBG) can be dramatically different from those of a single graphene layer, in particular when the two layers are rotated relative to each other by a small angle. TBG has recently…
Ultraflat bands have already been detected in twisted bilayer graphene and twisted bilayer transition-metal dichalcogenides, which provide a platform to investigate strong correlations. In this paper, the electronic properties of twisted…
Twisted bilayer graphene (TBG) represents a highly tunable, strongly correlated electron system owed to its unique flat electronic bands. However, understanding the single-particle band structure alone has been challenging due to complex…
We investigate the electronic structure of alternating-twist triple Bernal-stacked bilayer graphene (t3BG) as a function of interlayer coupling $\omega$, twist angle $\theta$, interlayer potential difference $\Delta$, and top-bottom…
We explore the rotational degree of freedom between graphene layers via the simple prototype of the graphene twist bilayer, i.e., two layers rotated by some angle $\theta$. It is shown that, due to the weak interaction between graphene…
We present a computational study of the phonon linewidths in twisted bilayer graphene arising from electron-phonon interactions and anharmonic effects. The electronic structure is calculated using distance-dependent transfer integrals based…
The folding of monolayer graphene leads to new layered systems, termed twisted bilayer graphene (TBG), generally displaying a certain interlayer rotation away from crystallographic alignment. We here present an atomic force microscopy study…
Twisted bilayer graphene (tBLG) has recently emerged as a new platform for studying electron correlations, the strength of which can be controlled via the twist angle. Here, we study the effect of internal screening on electron-electron…