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Register a new userDepressions by stacking faults in nanorippled graphene on metals
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A broad variety of defects has been observed in two-dimensional materials. Many of these defects can be created by top-down methods such as electron irradiation or chemical etching, while a few of them are created along bottom-up processes, in particular during the growth of the material, in which case avoiding their formation can be challenging. This occurs e.g. with dislocations, Stone-Wales defects, or atomic vacancies in graphene. Here we address a defect that has been observed repeatedly since 2007 in epitaxial graphene on metal surfaces like Ru(0001) and Re(0001), but whose nature has remained elusive thus far. This defect has the appearance of a vacant hill in the periodically nanorippled topography of graphene, which comes together with a moir{e} pattern. Based on atomistic simulations and scanning tunneling microscopy/spectroscopy measurements, we argue that such defects are topological in nature and that their core is a stacking fault patch, either in graphene, surrounded by loops of non-hexagonal carbon rings, or in the underlying metal. We discuss the possible origin of these defects in relation with recent reports of metastable polycyclic carbon molecules forming upon graphene growth. Like other defects, the vacant hills may be considered as deleterious in the perspective of producing high quality graphene. However, provided they can be organized in graphene, they might allow novel optical, spin, or electronic properties to be engineered.
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We study coherent backscattering phenomena from single and multiple stacking faults (SFs) in 3C- and 4H-SiC within density functional theory quantum transport calculations. We show that SFs give rise to highly dispersive bands within both the valance and conduction bands that can be distinguished for their enhanced density of states at particular wave number subspaces. The consequent localized perturbation potential significantly scatters the propagating electron waves and strongly increases the resistance for $n$-doped systems. We argue that resonant scattering from SFs should be one of the principal degrading mechanisms for device operation in silicon carbide.
We study the effects of metallic doping on the electronic properties of graphene using density functional theory in the local density approximation in the presence of a local charging energy (LDA+U). The electronic properties are sensitive to whether graphene is doped with alkali or transition metals. We estimate the the charge transfer from a single layer of Potassium on top of graphene in terms of the local charging energy of the graphene sheet. The coating of graphene with a non-magnetic layer of Palladium, on the other hand, can lead to a magnetic instability in coated graphene due to the hybridization between the transition-metal and the carbon orbitals.
The post-perovskite phase of (Mg,Fe)SiO3 is believed to be the main mineral phase of the Earths lowermost mantle (the D layer). Its properties explain numerous geophysical observations associated with this layer - for example, the D discontinuity, its topography and seismic anisotropy within the layer. Here we use a novel simulation technique, first-principles metadynamics, to identify a family of low-energy polytypic stacking-fault structures intermediate between the perovskite and post-perovskite phases. Metadynamics trajectories identify plane sliding involving the formation of stacking faults as the most favourable pathway for the phase transition, and as a likely mechanism for plastic deformation of perovskite and postperovskite. In particular, the predicted slip planes are (010) for perovskite (consistent with experiment) and (110) for postperovskite (in contrast to the previously expected (010) slip planes). Dominant slip planes define the lattice preferred orientation and elastic anisotropy of the texture. The (110) slip planes in post-perovskite require a much smaller degree of lattice preferred orientation to explain geophysical observations of shear-wave anisotropy in the D layer.
Coherent diffraction imaging (CDI) on Bragg reflections is a promising technique for the study of three-dimensional (3D) composition and strain fields in nanostructures, which can be recovered directly from the coherent diffraction data recorded on single objects. In this article we report results obtained for single homogeneous and heterogeneous nanowires with a diameter smaller than 100 nm, for which we used CDI to retrieve information about deformation and faults existing in these wires. The article also discusses the influence of stacking faults, which can create artefacts during the reconstruction of the nanowire shape and deformation.
We present out-of-plane dielectric and magnetodielectric measurements of single crystallines $alpha$-RuCl$_3$ with various degrees of stack faults. A frequency dependent, but field independent, dielectric anomaly appears at $T_{A}:(f=100:mathrm{kHz})sim$ 4 K once both magnetic transitions at $T_{N1}sim$ 7 K and $T_{N2}sim$ 14 K set in. The observed dielectric anomaly is attributed to the emergency of possible local electric polarizations whose inversion symmetry is broken by inhomogeneously distributed stacking faults. A field-induced intermediate phase is only observed when a magnetic field is applied perpendicular to the Ru-Ru bonds for samples with minimal stacking faults. Less pronounced in-plane anisotropy is found in samples with sizable contribution from stacking imperfections. Our findings suggest that dielectric measurement is a sensitive probe in detecting the structural and magnetic properties, which may be a promising tool especially in studying $alpha$-RuCl$_3$ thin film devices. Moreover, the stacking details of RuCl$_3$ layers strongly affect the ground state both in the magnetic and electric channels. Such a fragile ground state against stacking faults needs to be overcome for realistic applications utilizing the magnetic and/or electric properties of Kitaev based physics in $alpha$-RuCl$_3$.
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