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The ability to control the density and spatial distribution of substitutional dopants in semiconductors is crucial for achieving desired physicochemical properties. Substitutional doping with adjustable doping levels has been previously demonstrated in 2D transition metal dichalcogenides (TMDs); however, the spatial control of dopant distribution remains an open field. In this work, edge termination is demonstrated as an important characteristic of 2D TMD monocrystals that affects the distribution of substitutional dopants. Particularly, in chemical vapor deposition (CVD)-grown monolayer WS

Electron transport through iron porphyrin (FeP) molecules self-assembled on a gold (Au) substrate was investigated using conductive atomic force microscopy (AFM) to measure current–voltage (I–V) ch...

Crystallographic dislocation has been well-known to be one of the major causes responsible for the unfavorable carrier dynamics in conventional semiconductor devices. Halide perovskite has exhibited promising applications in optoelectronic devices. However, how dislocation impacts its carrier dynamics in the ‘defects-tolerant’ halide perovskite is largely unknown. Here, via a remote epitaxy approach using polar substrates coated with graphene, we synthesize epitaxial halide perovskite with controlled dislocation density. First-principle calculations and molecular-dynamics simulations reveal weak film-substrate interaction and low density dislocation mechanism in remote epitaxy, respectively. High-resolution transmission electron microscopy, high-resolution atomic force microscopy and Cs-corrected scanning transmission electron microscopy unveil the lattice/atomic and dislocation structure of the remote epitaxial film. The controlling of dislocation density enables the unveiling of the dislocation-carrier dynamic relation in halide perovskite. The study provides an avenue to develop free-standing halide perovskite film with low dislocation density and improved carried dynamics., Crystallographic dislocation has proven harmful to the carrier dynamics in conventional semiconductors but it is unexplored in metal halide perovskites. Here Jiang et al. grow remote epitaxial perovskite films on graphene with density-controlled dislocations and confirm their negative impact.

We perform a gas gun experiment by shock loading tantalum samples of varying grain structures to assess the suitability of a numerical model for simulating spall behavior. The observed differences in spall strength, as well spallation and re-compression history, are not captured in uncalibrated hydrodynamic simulations. An optimization is performed on the Johnson spall model to determine the best parameters that fit the observed trends. Linear stability analysis is employed to motivate bounds on those parameters. Herein, optimized simulations agree well with the experimental results, reproducing pullback depth and recompression timescales across the different samples tested. Further, the observed pullback time of the single crystal sample was found to imply, via the stability analysis, a percolation threshold in good agreement with the theoretical value for a body centered cubic lattice. Therefore, the combined linear stability and percolation analysis shows promise and may be applied to other materials with diverse microstructures. Collectively, the findings demonstrate that the model is suitable for reproducing spall-induced free surface behavior across various microstructures, but also points to caution in using model coefficients for uncalibrated microstructures.

One primary concern in diluted magnetic semiconductors (DMSs) is how to establish a long-range magnetic order with a low magnetic doping concentration to maintain the gate tunability of the host semiconductor, as well as to increase Curie temperature. Two-dimensional van der Waals semiconductors have been recently investigated to demonstrate the magnetic order in DMSs; however, a comprehensive understanding of the mechanism responsible for the gate-tunable long-range magnetic order in DMSs has not been achieved yet. Here, we introduce a monolayer tungsten diselenide (WSe2) semiconductor with V dopants to demonstrate the long-range magnetic order through itinerant spin-polarized holes. The V atoms are sparsely located in the host lattice by substituting W atoms, which is confirmed by scanning tunneling microscopy and high-resolution transmission electron microscopy. The V impurity states and the valence band edge states are overlapped, which is congruent with density functional theory calculations. The field-effect transistor characteristics reveal the itinerant holes within the hybridized band; this clearly resembles the Zener model. Our study gives an insight into the mechanism of the long-range magnetic order in V-doped WSe2, which can also be used for other magnetically doped semiconducting transition metal dichalcogenides., 19 pages, 4 figures

The vertical integration of atomically thin-layered materials to create van der Waals heterostructures (vdWHs) has been proposed as a method to design nanostructures with emergent properties. In this work, epitaxial Bi

First-principles density functional theory with the time-dependent Bethe-Salpeter Equation (BSE) is used to calculate the second harmonic generation (SHG) spectra of five trigonal prismatic ($2H$-phase) transition metal dichalcogenide (TMD) monolayers, $\mathrm{Mo}{\mathrm{S}}_{2}, \mathrm{MoS}{\mathrm{e}}_{2}, \mathrm{W}{\mathrm{S}}_{2}, \mathrm{WS}{\mathrm{e}}_{2}$, and $\mathrm{MoT}{\mathrm{e}}_{2}$, as a function of biaxial and uniaxial strain. It is shown that it is important to take excitonic effects into account when studying the effects of strain on SHG. All the TMDs exhibit very strong SHG, with hexagonal monolayer $\mathrm{MoT}{\mathrm{e}}_{2}$ dominating over the other TMDs in the 0.5--1.4 eV region. These results are shown to agree with experimental data. While $\mathrm{W}{\mathrm{S}}_{2}$ appears to be a good candidate for strain-tolerant applications because the SHG is insensitive to strain, $\mathrm{WS}{\mathrm{e}}_{2}$ exhibits a strong, consistent strain response that points to potential strain-sensitive applications. Distinct subpeaks of the $C$ exciton are observed which, when compared with the electronic structure, are attributed to specific transitions in the Brillouin zone, with the most important contributions coming from the $K({v}_{1}{\ensuremath{\rightarrow}}_{}{c}_{2}),Q({v}_{1}{\ensuremath{\rightarrow}}_{}{c}_{1}),$ and $\mathrm{\ensuremath{\Gamma}}({v}_{1}\ensuremath{\rightarrow}{c}_{1})$ points. These findings open avenues of exploration for potential applications of these materials in strain-sensitive devices and improve our understanding of the $C$ exciton in TMDs.

Monolayer transition metal dichalcogenides (TMDs) possess superior optical properties, including the valley degree of freedom that can be accessed through the excitation light of certain helicity. While WS2 and WSe2 are known for their excellent valley polarization due to the strong spin-orbit coupling, the optical bandgap is limited by the ability to choose from only these two materials. This limitation can be overcome through the monolayer alloy semiconductor, WS2xSe2(1-x), which promises an atomically thin semiconductor with tunable bandgap. In this work, we show that the high-quality BN encapsulated monolayer WS0.6Se1.4 inherits the superior optical properties of tungsten-based TMDs, including a trion splitting of ~ 6 meV and valley polarization as high as ~60%. In particular, we demonstrate for the first time the emerging and gate-tunable interlayer electron-phonon coupling in the BN/WS0.6Se1.4/BN van der Waals heterostructure, which renders the otherwise optically silent Raman modes visible. In addition, the emerging Raman signals can be drastically enhanced by the resonant coupling to the 2s state of the monolayer WS0.6Se1.4 A exciton. The BN/WS2xSe2(1-x)/BN van der Waals heterostructure with a tunable bandgap thus provides an exciting platform for exploring the valley degree of freedom and emerging excitonic physics in two-dimension.

Monolayer transition metal dichalcogenides (TMDs) possess superior optical properties, including the valley degree of freedom that can be accessed through the excitation light of certain helicity. Although WS

First principles methods are used to explicitly calculate the nonlinear susceptibility (χ(2)(2ω, ω, ω)) representing the second harmonic generation (SHG) of two dimensional semiconducting materials, namely transition metal dichalcogenides (TMDs) and Boron Nitride (BN). It is found that alloying TMDs improves their second harmonic response, with MoTeS alloys exhibiting the highest of all hexagonal alloys at low photon energies. Moreover, careful examination of the relationship between the concentration of Se in MoxSeySz alloys shows that the SHG intensity can be tuned by modifying the stoichiometry. In addition, materials with curvature can have large second harmonic susceptibility. Of all the calculated monolayer structures, the hypothetical TMD Haeckelites NbSSe and Nb0.5Ta0.5S2 exhibit the highest χ(2), while one of the porous 3D structures constructed from 2D hBN exhibits a larger χ(2) than known large band gap 3-D materials.

The polarization of light can exhibit unusual features when singular optical beams are involved. In 3-dimensional polarized random media the polarization orientation around singularities describe 1/2 or 3/2 Möbius strips. It has been predicted that if singular beams intersect non-collinearly in free space, the polarization ellipse rotates forming many-turn Möbius strips or twisted ribbons along closed loops around a central singularity. These polarization features are important because polarization is an aspect of light that mediate strong interactions with matter, with potential for new applications. We examined the non-collinear superposition of two unfocused paraxial light beams when one of them carried an optical vortex and the other one a uniform phase front, both in orthogonal states of circular polarization. It is known that these superpositions in 2-dimensions produce space-variant patterns of polarization. Relying on the symmetry of the problem, we extracted the 3-dimensional patterns from projective measurements, and confirmed the formation of many-turn Möbius strips or twisted ribbons when the topological charge of one of the component beams was odd or even, respectively. The measurements agree well with the modelings and confirmed that these types of patterns occur at macroscopic length scales and in ordinary superposition situations.

Crystallographic dislocation has been well-known to be one of the major causes responsible for the unfavorable carrier dynamics in conventional semiconductor devices. Halide perovskite has exhibited promising applications in optoelectronic devices. However, how dislocation impacts its carrier dynamics in the 'defects-tolerant' halide perovskite is largely unknown. Here, via a remote epitaxy approach using polar substrates coated with graphene, we synthesize epitaxial halide perovskite with controlled dislocation density. First-principle calculations and molecular-dynamics simulations reveal weak film-substrate interaction and low density dislocation mechanism in remote epitaxy, respectively. High-resolution transmission electron microscopy, high-resolution atomic force microscopy and Cs-corrected scanning transmission electron microscopy unveil the lattice/atomic and dislocation structure of the remote epitaxial film. The controlling of dislocation density enables the unveiling of the dislocation-carrier dynamic relation in halide perovskite. The study provides an avenue to develop free-standing halide perovskite film with low dislocation density and improved carried dynamics.

We present analysis and measurements of the polarization patterns produced by non-collinear superpositions of Laguerre-Gauss spatial modes in orthogonal polarization states, which are known as Poincare modes. Our findings agree with predictions (I. Freund Opt. Lett. 35, 148-150 (2010)), that superpositions containing a C-point lead to a rotation of the polarization ellipse in 3-dimensions. Here we do imaging polarimetry of superpositions of first- and zero-order spatial modes at relative beam angles of 0-4 arcmin. We find Poincare-type polarization patterns showing fringes in polarization orientation, but which preserve the polarization-singularity index for all three cases of C-points: lemons, stars and monstars.

We present theoretical descriptions and measurements of optical beams carrying isolated polarization-singularity C-points. Our analysis covers all types of C-points, including asymmetric lemons, stars and monstars. They are formed by the superposition of a circularly polarized mode carrying an optical vortex and a fundamental Gaussian mode in the opposite state of polarization. The type of C-point can be controlled experimentally by varying two parameters controlling the asymmetry of the optical vortex. This was implemented via a superposition of modes with singly charged optical vortices of opposite sign, and varying the relative amplitude and phase. The results are in excellent agreement with the predictions.

We demonstrate a method to produce optical beams with any type of C-point polarization singularity. We also propose a spherical representation that maps all types of C-points onto points on the surface of the sphere.