Van der Waals Epitaxy of Weyl-Semimetal Td-WTe2.

Epitaxial growth of WTe2 offers significant advantages, including the production of high-quality films, possible long-range in-plane ordering, and precise control over layer thicknesses. However, the mean island size of WTe2 grown by molecular beam epitaxy (MBE) in the literature is only a few tens of nanometers, which is not suitable for the implementation of devices at large lateral scales. Here we report the growth of Td -WTe2 ultrathin films by MBE on monolayer (ML) graphene, reaching a mean flake size of ≃110 nm, which is, on overage, more than three times larger than previous results. WTe2 films thicker than 5 nm have been successfully synthesized and exhibit the expected Td phase atomic structure. We rationalize the epitaxial growth of Td-WTe2 and propose a simple model to estimate the mean flake size as a function of growth parameters that can be applied to other transition metal dichalcogenides (TMDCs). Based on nucleation theory and the Kolmogorov-Johnson-Meh-Avrami (KJMA) equation, our analytical model supports experimental data showing a critical coverage of 0.13 ML above which WTe2 nucleation becomes negligible. The quality of monolayer WTe2 films is demonstrated by electronic band structure analysis using angle-resolved photoemission spectroscopy (ARPES), which is in agreement with first-principles calculations performed on free-standing WTe2 and previous reports. We found electron pockets at the Fermi level, indicating a n-type doping of WTe2 with an electron density of n = 2.0 ± 0.5 × 1012 cm-2 for each electron pocket.

Atomistic Description of Interdroplet Ice-Bridge Formation during Condensation Frosting.

The propagation of frost in an assembly of supercooled dew droplets takes place by the formation of ice protrusions that bridge ice particles and still-liquid droplets. In this work, we develop a Kinetic Monte Carlo (KMC) model to study the formation kinetics of the ice protrusions. The KMC simulations reproduce well the experimental results reported in the literature. The elongation speed of the ice protrusions does not depend on the droplet size but increases when the interdroplet distance decreases, the temperature increases, or the substrate wettability increases. While 2D diffusion of the water molecules on the substrate surface is sufficient to explain the process kinetics, high 3D (vapor) water-molecule concentration can lead to the development of 3D lateral branches on the ice protrusions. A 1D analytical model based on the water-molecule concentration gradient between a droplet and a nearby ice particle reproduces well the simulation results and highlights the relation between the protrusion elongation kinetics and parameters like the interdroplet distance, the water diffusivity, and the concentration gradient. The bridge-formation time has a quadratic dependence on the droplet-ice distance. Comparing the simulations, the analytical model, and the experimental results of the literature, we conclude that the propagation of frost on a flat substrate in an assembly of supercooled dew droplets with interdroplet spacing larger than about 1 µm is limited by water-molecule diffusivity.

Surface-dependent scenarios for dissolution-driven motion of growing droplets.

Nano-droplets on a foreign substrate have received increasing attention because of their technological possible applications, for instance to catalyse the growth of nanowires. In some cases the droplets can move as a result of a reaction with the substrate. In this work we show that the substrate orientation, the surface morphology and the shape of the pits etched in the substrate by the droplets affect the droplet motion, so that a single mechanism (droplet-induced substrate dissolution) may lead to several unexpected droplet dynamics. The experiments are carried out by low energy electron microscopy on Au-Si and Au-Ge, which are model systems for studying liquid droplet alloys. Studying in-situ the behaviour of Au droplets on various Si and Ge surfaces, we describe a subtle interplay between the substrate orientation, the surface defects, and the droplet motion. Our observations allow a deep understanding of the interfacial mechanisms at the origin of the alloy formation and the associated droplet motion. These mechanisms are based on events of substrate dissolution/recrystallization. The outcomes of this work highlight the importance of the etching anisotropy on the droplet-substrate behaviours, and are essential in the perspective of positioning liquid alloy droplets used for instance as nanowire catalysts.

In-Plane Si Nanowire Growth Mechanism in Absence of External Si Flux.

We report on a new mechanism of nanowire formation: during Au deposition on Si(110) substrates, Au-Si droplets grow, move spontaneously, and fabricate a Si nanowire behind them in the absence of Si external flux. Nanowires are formed by Si dissolved from the substrate at the advancing front of the droplets and transported backward to the crystallization front. The droplet shape is determined by the Si etching anisotropy. The nanowire formation can be tuned by changing experimental parameters like substrate temperature and Au deposition rate.

Magnetic properties of self-organized Co dimer nanolines on Si/Ag(110).

We demonstrate the kinetically controlled growth of one-dimensional Co nanomagnets with a high lateral order on a nanopatterned Ag(110) surface. First, self-organized Si nanoribbons are formed upon submonolayer condensation of Si on the anisotropic Ag(110) surface. Depending on the growth temperature, individual or regular arrays (with a pitch of 2 nm) of Si nanoribbons can be grown. Next, the Si/Ag(110) system is used as a novel one-dimensional Si template to guide the growth of Co dimer nanolines on top of the Si nanoribbons, taking advantage of the fact that the thermally activated process of Co diffusion into the Si layer is efficiently hindered at 220 K. Magnetic characterization of the Co nanolines using X-ray magnetic circular dichroism reveals that the first atomic Co layer directly adsorbed onto the Si nanoribbons presents a weak magnetic response. However, the second Co layer exhibits an enhanced magnetization, strongly suggesting a ferromagnetic ordering with an in-plane easy axis of magnetization, which is perpendicular to the Co nanolines.

Micromagnetic study of flux-closure states in Fe dots using quantitative Lorentz microscopy.

A micromagnetic study of epitaxial micron-sized iron dots is reported through the analysis of Fresnel contrast in Lorentz Microscopy. Their use is reviewed and developed through analysis of various magnetic structures in such dots. Simple Landau configuration is used to investigate various aspects of asymmetric Bloch domain walls. The experimental width of such a complex wall is first derived and its value is discussed with the help of micromagnetic simulations. Combination of these two approaches enables us to define what is really extracted when estimating asymmetric wall width in Lorentz Microscopy. Moreover, quantitative data on the magnetization inside the dot is retrieved using phase retrieval as well as new information on the degrees of freedom of such walls. Finally, it is shown how the existence and the propagation of a surface vortex can be characterized and monitored. This demonstrates the ability to reach a magnetic sensitivity a priori hidden in Fresnel contrast, based on an original image treatment and backed-up by the evaluation of contrasts obtained from micromagnetic simulations.

Influence of polymer-blend morphology on charge transport and photocurrent generation in donor-acceptor polymer blends.

Monte Carlo algorithms are used to simulate the morphologies adopted by polymer chains in a polymer-blend film in the limits where the chains are mutually attractive (homophilic regime) and mutually repulsive (heterophilic regime) and then to simulate the drift transport of charges through the polymer chains. In the homophilic regime, chains aggregate into tangled domains resulting in a relatively high percolation threshold, a high density of configurational trap states, and slow, dispersive charge transport. In the heterophilic regime at the same polymer volume fraction, chains self-organize into a lacework pattern resulting in a low percolation threshold and efficient, trap-free charge transport. For homophilic morphologies interchain hopping is rate-limiting and mobility is insensitive to chain length, whereas for heterophilic morphologies intrachain transport is important and mobility increases with increasing chain length. The morphologies are used in simulations of photocurrent quantum efficiency for donor-acceptor blend photodiodes, which show that the effects of morphology on charge pair generation and recombination compete with the effect on transport, such that the optimum blend composition is sensitive to both morphology and recombination rate. We conclude that it is essential to consider the connectivity of and morphology adopted by polymer chains in the optimization of materials for organic solar cells.