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The stability of two-dimensional (2D) layers and membranes is subject of a long standing theoretical debate. According to the so called Mermin-Wagner theorem, long wavelength fluctuations destroy the long-range order for 2D crystals. Similarly, 2D membranes embedded in a 3D space have a tendency to be crumpled. These dangerous fluctuations can, however, be suppressed by anharmonic coupling between bending and stretching modes making that a two-dimensional membrane can exist but should present strong height fluctuations. The discovery of graphene, the first truly 2D crystal and the recent experimental observation of ripples in freely hanging graphene makes these issues especially important. Beside the academic interest, understanding the mechanisms of stability of graphene is crucial for understanding electronic transport in this material that is attracting so much interest for its unusual Dirac spectrum and electronic properties. Here we address the nature of these height fluctuations by means of straightforward atomistic Monte Carlo simulations based on a very accurate many-body interatomic potential for carbon. We find that ripples spontaneously appear due to thermal fluctuations with a size distribution peaked around 70 AA which is compatible with experimental findings (50-100 AA) but not with the current understanding of stability of flexible membranes. This unexpected result seems to be due to the multiplicity of chemical bonding in carbon.
Thermal ripples of graphene are well understood at room temperature, but their quantum counterparts at low temperatures are still in need of a realistic quantitative description. Here we present atomistic path-integral Monte Carlo simulations of free
Intrinsic ripples with various configurations and sizes were reported to affect the physical and chemical properties of 2D materials. By performing molecular dynamics simulations and theoretical analysis, we use two geometric models of the ripple sha
We measure the temperature-dependent carrier density and resistivity of the topological surface state of thin exfoliated Bi2Se3 in the absence of bulk conduction. When the gate-tuned chemical potential is near or below the Dirac point the carrier den
We examine magnetic relaxation in polycrystalline Fe films with strong and weak crystallographic texture. Out-of-plane ferromagnetic resonance (FMR) measurements reveal Gilbert damping parameters of $approx$ 0.0024 for Fe films with thicknesses of 4-
Grain boundaries (GBs) are structural imperfections that typically degrade the performance of materials. Here we show that dislocations and GBs in two-dimensional (2D) metal dichalcogenides MX2 (M = Mo, W; X = S, Se) can actually improve the material