اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدRelaxation of moire patterns for slightly misaligned identical lattices: graphene on graphite
39
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
We study the effect of atomic relaxation on the structure of moire patterns in twisted graphene on graphite and double layer graphene by large scale atomistic simulations. The reconstructed structure can be described as a superlattice of `hot spots with vortex-like behaviour of in-plane atomic displacements and increasing out-of-plane displacements with decreasing angle. These lattice distortions affect both scalar and vector potential and the resulting electronic properties. At low misorientation angles (<$sim$1$^circ$) the optimized structures deviate drastically from the sinusoidal modulation which is often assumed in calculations of the electronic properties. The proposed structure might be verified by scanning probe microscopy measurements.
قيم البحث
اقرأ أيضاً
Van der Waals heterostructures employing graphene and hexagonal boron nitride (hBN) crystals have emerged as a promising platform for plasmonics thanks to the tunability of their collective modes with carrier density and record values for plasmonics
figures of merit. In this Article we investigate theoretically the role of moire-pattern superlattices in nearly aligned graphene on hBN by using continuum-model Hamiltonians derived from ab initio calculations. We calculate the systems energy loss function for a variety of chemical potential values that are accessible in gated devices. Our calculations reveal that the electron-hole asymmetry of the moire bands leads to a remarkable asymmetry of the plasmon dispersion between positive and negative chemical potentials, showcasing the intricate band structure and rich absorption spectrum across the secondary Dirac point gap for the hole bands.
When two-dimensional atomic crystals are brought into close proximity to form a van der Waals heterostructure, neighbouring crystals can start influencing each others electronic properties. Of particular interest is the situation when the periodicity
of the two crystals closely match and a moire pattern forms, which results in specific electron scattering, reconstruction of electronic and excitonic spectra, crystal reconstruction, and many other effects. Thus, formation of moire patterns is a viable tool of controlling the electronic properties of 2D materials. At the same time, the difference in the interatomic distances for the two crystals combined, determines the range in which the electronic spectrum is reconstructed, and thus is a barrier to the low energy regime. Here we present a way which allows spectrum reconstruction at all energies. By using graphene which is aligned simultaneously to two hexagonal boron nitride layers, one can make electrons scatter in the differential moire pattern, which can have arbitrarily small wavevector and, thus results in spectrum reconstruction at arbitrarily low energies. We demonstrate that the strength of such a potential relies crucially on the atomic reconstruction of graphene within the differential moire super-cell. Such structures offer further opportunity in tuning the electronic spectra of two-dimensional materials.
Strain-inducing deformations in graphene alter charge distributions and provide a new method to design specific features in the band structure and transport properties. Novel approaches implement engineered substrates to induce specifically targeted
strain profiles. Motivated by this technique, we study the evolution of charge distributions with an increasing number of out-of-plane deformations as an example of a finite size periodic substrate. We first analyze a system of two overlapping deformations and determine the quantitative relation between geometrical parameters and features in the local density of states. We extend the study to sets of 3 and 4 deformations in linear and two-dimensional arrays and observe the emergence of moire patterns that are more pronounced for a hexagonal cell composed of 7 deformations. A comparison between the induced strain profile and spatial maps of the local density of states at different energies provides evidence for the existence of states confined by the pseudo-magnetic field in bounded regions, reminiscent of quantum dots structures. Due to the presence of these states, the energy level scaling to be observed by local probes should exhibit a linear dependence with the pseudo-field, in contrast to the expected scaling of pseudo-Landau levels.
Spontaneous orbital magnetism observed in twisted bilayer graphene (tBG) on nearly aligned hexagonal boron nitride (BN) substrate builds on top of the electronic structure resulting from combined G/G and G/BN double moire interfaces. Here we show tha
t tBG/BN commensurate double moire patterns can be classified into two types, each favoring the narrowing of either the conduction or valence bands on average, and obtain the evolution of the bands as a function of the interlayer sliding vectors and electric fields. Finite valley Chern numbers $pm 1$ are found in a wide range of parameter space when the moire bands are isolated through gaps, while the local density of states associated to the flat bands are weakly affected by the BN substrate invariably concentrating around the AA-stacked regions of tBG. We illustrate the impact of the BN substrate for a particularly pronounced electron-hole asymmetric band structure by calculating the optical conductivities of twisted bilayer graphene near the magic angle as a function of carrier density. The band structures corresponding to other $N$-multiple commensurate moire period ratios indicate it is possible to achieve narrow width $W lesssim 30$ meV isolated folded band bundles for tBG angles $theta lesssim 1^{circ}$.
A scalable tight-binding model is applied for large-scale quantum transport calculations in clean graphene subject to electrostatic superlattice potentials, including two types of graphene superlattices: moire patterns due to the stacking of graphene
and hexagonal boron nitride (hBN) lattices, and gate-controllable superlattices using a spatially modulated gate capacitance. In the case of graphene/hBN moire superlattices, consistency between our transport simulation and experiment is satisfactory at zero and low magnetic field, but breaks down at high magnetic field due to the adopted simple model Hamiltonian that does not comprise higher-order terms of effective vector potential and Dirac mass terms. In the case of gate-controllable superlattices, no higher-order terms are involved, and the simulations are expected to be numerically exact. Revisiting a recent experiment on graphene subject to a gated square superlattice with periodicity of 35 nm, our simulations show excellent agreement, revealing the emergence of multiple extra Dirac cones at stronger superlattice modulation.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
