Related papers: Hybrid-functional electronic structure of multilay…
The emerging interest in van der Waals heterostructures as new materials for opto-electronics and photonics poses questions about their stability and structure-property relations. In the framework of density-functional and many-body…
Moir\'e materials host a wealth of intertwined correlated and topological states of matter, all arising from flat electronic bands with nontrivial quantum geometry. A prominent example is the family of alternating-twist magic-angle graphene…
Graphene is a two-dimensional (2D) semimetal with high mobility in charge carriers due to the existence of Dirac points. Silicene is another promising material, with properties analog to graphene. Many silicon (Si) based electronic devices…
Recent experiments indicate that the Bernal stacked graphene multilayer (BGM) have an interaction induced gapped (or pseudo gapped) ground state. Here, we propose that, due to the electron correlation, the BGM can be induced into a half…
The topological electronic structure of crystalline materials often gives rise to intriguing surface states, such as Dirac surface states in topological insulators, Fermi arc surface states in Dirac semimetals, and topological…
Intrinsic rhombohedral graphene hosts an unusual low-energy electronic wavefunction, predominantly localized at its outer crystal faces with negligible presence in the bulk. Increasing the number of graphene layers amplifies the density of…
Using the tight-binding model of graphite, incorporating all Slonczewski-Weiss-McClure parameters, we compute the spectrum of two-dimensional states of electrons bound to a stacking fault in Bernal graphite. We find that those bands retain…
Using ab initio calculations, we study the electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene. Those defects are found to share similar low-energy electronic features, since they both remove a pz…
The tunable band structure and nontrivial topology of multilayer rhombohedral graphene lead to a variety of correlated electronic states with isospin orders-meaning ordered states in the combined spin and valley degrees of freedom-dictated…
The electronic properties of a material depend on the spatial freedom of the electron wavefunction. A well-known example is graphite, which is a conventional gapless semiconductor, while a single layer of it, graphene, exhibits extremely…
Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and…
Using the low-energy effective Hamiltonian of the ABC-stacked multilayer graphene, pseudo spin coupling to real orbital angular momentum of electron in multilayer graphene is investigated. We show that electron wave function in N-layer…
Ferromagnetism is most common in transition metal compounds but may also arise in low-density two-dimensional electron systems, with signatures observed in silicon, III-V semiconductor systems, and graphene moir\'e heterostructures. Here we…
The low-energy physics of rhombohedral $N$-layer graphene mainly arises on the external layers, where most of the {\pi} electrons are located. Their Bloch band structure defines a two-band semimetal; the dispersion relation scales as $\pm…
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals…
We study the effect of chiral-tunneling in Bernal and Rombhohedral stacked trilayer-graphene (3LG). Based on the chirality of the electronic bands, at the K-point, (Rombhohedral) Bernal-3LG exhibits 100% (50%) transparency across a…
Rhombohedral multilayer graphene has emerged as an extraordinary platform for investigating exotic quantum states, such as superconductivity and fractional quantum anomalous Hall effects, mainly due to the existence of topological surface…
We study the orbital effect of a strong magnetic field parallel to the layers on the energy spectrum of the Bernal-stacked graphene bilayer and multilayers, including graphite. We consider the minimal model with the electron tunneling…
Van der Waals polytypes are commensurate configurations of two-dimensional layers with discrete crystalline symmetries and distinct stacking-dependent properties. In graphitic polytypes, the different stacking arrangements of graphene…
We apply the mean-field Hartree Fock theory of gapped electronic states at charge neutrality in bilayer graphene to thin films of rhombohedral graphite with up to thirty layers. For the ground state, the order parameter (the separation of…