相关论文: Interlayer decoupling in twisted bilayers of $\bet…
Twist angle engineering in van der Waals homo and hetero-bilayers introduces profound modifications in their electronic, optical and mechanical properties due to lattice reconstruction. In these systems, the interlayer coupling and atomic…
We investigate two dimensional monolayer structures of arsenic phosphorus ( AsP) by means of first principles plane wave method within density functional theory using the generalized gradient approximation. Two structures of arsenic…
Phosphorene, a monolayer of black phosphorus, is promising for nanoelectronic applications not only because it is a natural p-type semiconductor but also it possesses a layer-number dependent direct bandgap (in the range of 0.3 eV~1.5 eV).…
We review the theoretical modelling of moir\'e materials, focusing on various aspects of magic-angle twisted bilayer graphene (MA-TBG) viewed through the lens of Hartree-Fock mean-field theory. We first provide an elementary introduction to…
We investigate the mesoscopic transport through a twisted bilayer graphene (TBG) consisting of a clean graphene nanoribbon on the bottom and a disordered graphene disc on the top. We show that, with strong top-layer disorder the…
With the help of the quantum chemistry methods we have investigated the nature of interlayer interactions between graphene fragments in different stacking arrangements (AA and AB). We found that the AB stacking pattern as the ground state…
We present a combined experimental and theoretical study of twisted double bilayer graphene with twist angles between 1{\deg} and 1.35{\deg}. Consistent with moir\'e band structure calculations, we observe insulators at integer moir\'e band…
In Bernal-stacked bilayer graphene (BBG), the Landau levels give rise to an intimate connection between valley and layer degrees of freedom. Adding a moir\'e superlattice potential enriches the BBG physics with the formation of topological…
When monolayer graphene is crystallographically aligned to hexagonal boron nitride (BN), a moir\'e superlattice is formed, producing characteristic satellite Dirac peaks in the electronic band structure. Aligning a second BN layer to…
In twisted bilayers of semiconducting transition metal dichalcogenides (TMDs), a combination of structural rippling and electronic coupling gives rise to periodic moir\'e potentials that can confine charged and neutral excitations. Here, we…
In this letter, we demonstrate electric field-induced band modification of an asymmetrically twisted hBN/BLG/hBN supermoire lattice. Distinct from unaligned BLG/hBN systems, we observe regions in the density-displacement field (n-D) plane…
Geometrical moir\'e patterns, generic for almost aligned bilayers of two-dimensional (2D) crystals with similar lattice structure but slightly different lattice constants, lead to zone folding and miniband formation for electronic states.…
In this paper, the electronic properties of 30{\deg} twisted double bilayer graphene, which loses the translational symmetry due to the incommensurate twist angle, are studied by means of the tight-binding approximation. We demonstrate the…
The electronic excitations of bilayer graphene (BLG) under a magnetic field are investigated with the use of the Peierls tight-binding model in conjunction with random-phase approximation (RPA). The interlayer atomic interactions,…
We study the atomic and electronic structures of the commensurate double moir\'{e} superlattices in fully relaxed twisted bilayer graphene (TBG) nearly aligned with the hexagonal boron nitride (BN). The single-particle effective Hamiltonian…
We study the stability and electronic structure of magic-angle twisted bilayer graphene on the hexagonal boron nitride (TBG/BN). Full relaxation has been performed for commensurate supercells of the heterostructures with different twist…
Rotated graphene bilayers form an exotic class of nanomaterials with fascinating electronic properties governed by the rotation angle theta. For large rotation angles, the electron eigenstates are restricted to one layer and the bilayer…
Van der Waals heterostructures obtained by artificially stacking two-dimensional crystals represent the frontier of material engineering, demonstrating properties superior to those of the starting materials. Fine control of the interlayer…
The study of moir\'e engineering started with the advent of van der Waals heterostructures in which stacking two-dimensional layers with different lattice constants leads to a moir\'e pattern controlling their electronic properties. The…
Spontaneous symmetry-breaking, where the ground state of a system has lower symmetry than the underlying Hamiltonian, is ubiquitous in physics. It leads to multiply-degenerate ground states, each with a different "broken" symmetry labeled…