Related papers: Stacking and band structure of van der Waals bonde…
Vertically stacked van der Waals structures are promising platforms that enable layer engineering, opening new avenues for the quantum control of elementary excitations, including optically generated bound electron-hole pairs. Here we…
It has recently been shown that quantum-confined states can appear in epitaxially grown van der Waals material heterobilayers without a rotational misalignment ($\theta=0^\circ$), associated with flat bands in the Brillouin zone of the…
The discovery of interaction-driven insulating and superconducting phases in moir\'e van der Waals heterostructures has sparked considerable interest in understanding the novel correlated physics of these systems. While a significant number…
When two planar atomic membranes are placed within the van der Waals distance, the charge and heat transport across the interface are coupled by the rules of momentum conservation and structural commensurability, leading to outstanding…
Application of a displacement field opens a gap and enhances the Van-Hove singularities in the band structure of Bernal-stacked bilayer graphene. By adjusting the carrier density so that the Fermi energy lies in the vicinity of these…
We have studied boron nitride monolayer and bilayer band structures. For bilayers, the ground state energies of the different five stackings are computed using DFT in order to determine the most stable configuration. Also, the interlayer…
Here we study the evolution of local electronic properties of a twisted graphene bilayer induced by a strain and a high curvature. The strain and curvature strongly affect the local band structures of the twisted graphene bilayer; the…
Coherent excitation of shear phonons in van der Waals layered materials is a non-destructive mechanism to fine-tune the electronic state of the system. We develop a diagrammatic theory for the displacive Raman force and apply it to the…
One- and two-dimensional bilayer systems are examples of ultra-tunable quantum materials that are considered as the basis for the new generation of electronic and photonic devices. Here we develop a general theory of the electron band…
We predict that antiferromagnetic bilayers formed from van der Waals (vdW) materials, like bilayer CrI$_3$, have a strong magnetoelectric response that can be detected by measuring the gate voltage dependence of Faraday or Kerr rotation…
We study the electronic properties of h-BN/graphene/h-BN ABC-stacked trilayer systems using tight binding and DFT methods. We comment on the recent work of Ramasubramaniam et al. (arxiv:1011.2489) whose results seem to be in disagreement…
Dispersionless electronic bands lead to an extremely high density of states and suppressed kinetic energy, thereby increasing electronic correlations and instabilities that can shape emergent ordered states, such as excitonic,…
Exchange-correlation functionals with corrections for van der Waals interactions (PBE-D2, PBE-D3, PBE-D3(BJ), PBE-TS, optPBE-vdW and vdW-DF2) are tested for graphene and hexagonal boron nitride, both in the form of bulk and bilayer. The…
Equilibrium properties of electrons in double-heterojunction AlGaAs/GaAs\AlGaAs structures are investigated theoretically, using a full self-consistent numerical method. The transition from single to bilayer electron systems is discussed…
The band structure of Bernal-stacked bilayer graphene can be tuned using double-gated transistors to apply a perpendicular electric field that generates an interlayer potential energy difference $\Delta$. Dielectric breakdown limits the…
A central feature of many van der Waals (vdW) materials is the ability to precisely control their charge doping, $n$, and electric displacement field, $D$, using top and bottom gates. For devices composed of only a few layers, it is…
We present atomistic calculations on structural and electronic properties of twisted double bilayer graphene (TDBG) consisting of two sets of rotationally misaligned Bernal-stacked bilayer graphene. Obtained equilibrium atomic structures…
It is shown that it is now possible to include van der Waals interactions via a nonempirical implementation of density functional theory to describe the correlation energy in electronic structure calculations on infinite systems of no…
Van der Waals (vdW) heterostructures consisting of bilayer graphene (BLG) encapsulated within monolayers of strong spin-orbit semiconductor WS$_2$ or ferromagnetic semiconductor Cr$_2$Ge$_2$Te$_6$ (CGT), are investigated. By performing…
We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…