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Surface-interface analysis of In <sub/>x</sub> Ga <sub/>1-x</sub> As/InP heterostructure in positive and negative mismatch system
摘要： The change of In content in the InxGa1-xAs/InP system leads to the variation of the lattice constant and thereby to the negative mismatch between the base InP and the positive mismatch. Here, we studied the surface morphology and dislocation relationship of InxGa1-xAs/InP (100) in the positive and negative mismatch system by different characterization techniques. Under the same mismatch, the surface morphology and mass effect of negative mismatch were greater than those of positive mismatch. The reason was that in the negative mismatch system, during the film growth, the disorder degree at the interface increases, leading to an increase in dislocation density, meanwhile, the dislocation in the substrate more easily moved into the film, thus increasing the film and the dislocation density in it. Moreover, the mechanism of the buffer layer was also clarified. The addition of the buffer layer first limited the dislocation movement in the substrate, and secondly reduced the mismatch between the epitaxial layer and the substrate, thereby reducing mismatch dislocation.
关键词： surface/interface,lattice mismatch,InxGa1-xAs/InP,residual stress,dislocation
更新于2025-09-23 15:23:52
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Topology and polarity of dislocation cores dictate the mechanical strength of monolayer MoS2
摘要： In contrast to homoelemental graphene showing common dislocation dipole with pentagon-heptagon (5|7) core, heteroelemental MoS2 is observed to contain diverse dislocation cores that tune the chemical and physical properties. Yet, how the inevitable dislocation cores in MoS2 affect the mechanical behaviours remains virtually unexplored. Herein, we report direct atomistic simulations of mechanical characteristics of isolated dislocation-embedded MoS2 monolayers under tensile load. All isolated dislocation cores in MoS2 monolayer rise polar stress-concentration, while those with larger Burgers vector are less energetically-favorable configurations but show local wrinkling behaviour. It is revealed that the intrinsic tensile strength of MoS2 is dictated by topology and polarity of dislocation cores. There is a strong inverse correlation between the maximum residual stresses induced by the dislocation cores and the strength of MoS2 monolayers. Mechanical failure initiates from the bond at dislocation polygon on which side there is a missing atomic chain. Armchair-oriented 4|8 dislocation exhibits sole brittle failure, however, dual brittle/ductile fractures occur in zigzag-oriented dislocations; Mo-S-Mo angle-oriented crack is brittle, while the S-Mo-S angle-oriented crack becomes ductile. Our findings shed sights on mechanical design of heteroelemental 2D materials via dislocation engineering for practical application.
关键词： Mechanical strength,Fracture characteristics,Monolayer MoS2,Molecular dynamics simulations,Dislocation cores
更新于2025-09-23 15:23:52
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Dislocation bending and stress evolution in Mg-doped GaN films on Si substrates
摘要： P-type doping using Mg is essential for realizing a variety of electronic and optoelectronic III-nitride devices involving hetero-epitaxial thin films that also contain a significant number of dislocations. We report on the effect of Mg incorporation on dislocation and stress evolution during the growth of GaN thin films by using in situ curvature measurements and ex situ transmission electron microscopy. A complete picture involving the interplay between three effects—dopant size effect, dislocation bending, and polarity inversion—is presented. Mg aids dislocation bending, which in turn generates tensile stresses in Mg-doped GaN films. As a result, the compressive stress expected due to the dopant size difference effect can only be discerned clearly in films with dislocation densities below 5 × 10^9 cm^?2. Polarity inversion at doping exceeding 10^19 cm^?3 is associated with a sharp drop in screw dislocation density. A kinetic stress evolution model has been developed to capture dislocation bending and size difference effects, and a match between calculated bending angle from the model and that measured from TEM images is obtained.
关键词： Mg doping,stress evolution,dislocation bending,in situ curvature measurements,transmission electron microscopy,polarity inversion,GaN
更新于2025-09-23 15:23:52
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3D GaN Fins as a Versatile Platform for a-Plane-Based Devices
摘要： GaN fins on GaN-on-sapphire templates are fabricated by continuous mode selective area metalorganic vapor phase epitaxy. The fins exhibit high aspect ratios and smooth nonpolar a-plane sidewalls with an ultra-low threading dislocation density of a few 105 cm?2 making them ideally suited for optoelectronic to electronic applications. A detailed analysis of the inner structure of GaN fins is provided by the help of marker layer experiments and correlation of results from fins fabricated under different growth conditions, leading to the development of a growth model to explain the final geometry and optical as well as electrical properties of these high aspect ratio fins. Distinctly different material properties for the central and outer parts of the fins are detected. Whereas the outer sidewalls represent high quality GaN surfaces with very low defect densities, a strong quenching of near band edge emission (NBE) in the central part of the fins is accompanied by heavy compensation of free electrons. A possible explanation is the incorporation of excessive point defects, like intrinsic defects or carbon impurity. The sidewall regions, however, prove to be highly suitable for device applications due to their strong NBE emission, low dislocation density, and high free carrier concentration.
关键词： marker layers,threading dislocation density,GaN fins,selective-area MOVPE,a-plane sidewalls
更新于2025-09-23 15:22:29
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Revisiting the structures and energies of silicon ?110? symmetric tilt grain boundaries
摘要： Atomistic simulations of 18 silicon ?110? symmetric tilt grain boundaries are performed using Stillinger Weber, Tersoff, and the optimized Modified Embedded Atom Method potentials. We define a novel structural unit classification through dislocation core analysis to characterize the relaxed GB structures. GBs with the misorientation angle h ranging from 13.44° to 70.53° are solely composed of Lomer dislocation cores. For GBs with h less than but close to 70.53°, GB 'step' appears and the equilibrated states with lowest GB energies can be attained only when such GB 'step' is located in the middle of each single periodic GB structure. For the misorientation angles in the range of 93.37° ￡ h ￡ 148.41°, GB structures become complicated since they contain multiple types of dislocation cores. This work not only facilitates the structural characterization of silicon ?110? STGBs, but also may provide new insights into mirco-structure design in multicrystalline silicon.
关键词： silicon,structural units,energies,grain boundaries,atomistic simulations,dislocation cores
更新于2025-09-23 15:22:29
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A discrete core-shell-like micro-light-emitting diode array grown on sapphire nano-membranes
摘要： A discrete core-shell-like micro-light-emitting diode (micro-LED) array was grown on a 100 nm-thick sapphire nano-membrane array without harmful plasma etching for chip singulation. Due to proper design for the sapphire nano-membrane array, an array of multi-faceted micro-LEDs with size of 4 μm × 16 μm was grown. threading dislocation density in the micro-LeD formed on sapphire nano-membrane was reduced by 59.6% due to the sapphire nano-membranes, which serve as compliant substrates, compared to GaN formed on a planar substrate. Enhancements in internal quantum efficiency by 44% and 3.3 times higher photoluminescence intensity were also observed from it. Cathodoluminescence emission at 435 nm was measured from c-plane multiple quantum wells (MQWs), whereas negligible emissions were detected from semi-polar sidewall facets. A core-shell-like MQWs were formed on all facets, hopefully lowering concentration of non-radiative surface recombination centers and reducing leakage current paths. This study provides an attractive platform for micro-LEDs by using sapphire nano-membrane.
关键词： internal quantum efficiency,photoluminescence,threading dislocation density,micro-LED,sapphire nano-membrane,core-shell-like,cathodoluminescence
更新于2025-09-23 15:21:01
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Misfit-Dislocation Distributions in Heteroepitaxy: From Mesoscale Measurements to Individual Defects and Back
摘要： We provide an in-depth characterization of the dislocation distribution in partially relaxed Si0.92Ge0.08/Si(001) films. This is achieved by an innovative and general method, combining two state-of-the-art characterization techniques through suitable modeling. After having inferred the dislocation positions from transmission-electron-microscopy images, we theoretically reproduce scanning-x-ray-diffraction-microscopy tilt maps measured on the very same region of the sample. We obtain a nearly perfect match between model predictions and experimental data. As a result, we claim that it is possible to establish a local, direct correlation between the dislocations revealed by the transmission-electron-microscopy analysis and the measured lattice tilt distribution.
关键词： heteroepitaxy,dislocation distribution,scanning x-ray diffraction microscopy,transmission electron microscopy,lattice tilt distribution
更新于2025-09-23 15:21:01
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Magnetoa??optical specifications of Rosena??Morse quantum dot with screw dislocation
摘要： This is the first study to consider a quantum dot with screw dislocation that has Rosen-Morse (RM) confinement potential, generated by a GaAs/GaAlAs heterostructure. An external magnetic field and Aharonov-Bohm (AB) flux field were also applied on RM quantum dot (RMQD) in order to stave the effects of a screw dislocation defect. The combined effect of the screw dislocation defect, the external magnetic field, and AB flux field on the total refractive index changes (TRICs) and the total absorption coefficients (TACs) of RMQD are thus investigated. Cylindrical coordinates are used due to the direction of application of the torsion and the external fields, as well as due to the structure's symmetry. The effective mass approximation and tridiagonal matrix methods are used in order to obtain the subband energy spectra and electronic wave functions of RMQD. The nonlinear optical specifications of RMQD are checked using compact-density-matrix formalism within the framework of the iterative method. Reviews without screw dislocation are also carried out in order to be able to clarify the effects of a screw dislocation defect on the optical properties, and then, both cases are deliberated. This study is the first attempt to analyze the AB flux field for RMQD without screw dislocation. In the present study, the influences of a screw dislocation defect on RMQD's TRICs and TACs are probed by considering different values of the external magnetic field and AB flux field, and the ranges of corresponding parameters on the optimum of the structure are specified. Moreover, the study also elucidates how to rule out the effects of screw dislocation on optical specifications by means of the external fields. Despite a certain screw dislocation, the frequency range is determined where the structure behaves as if it is perfect (namely, without screw dislocation) for its optimum, which in turn is crucial for experimental applications.
关键词： quantum dot,magnetic field,screw dislocation,Aharonov-Bohm flux field,nonlinear optical properties
更新于2025-09-23 15:19:57
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Recovery kinetics in high temperature annealed AlN heteroepitaxial films
摘要： Based on the experimental dislocation annihilation rates, vacancy core diffusion-controlled dislocation climb was found as a dominant recovery mechanism in high temperature annealing of AlN heteroepitaxial films. Dislocation annihilation mechanisms via dislocation glide (with or without kinks) and vacancy bulk diffusion were found to be less significant. Cross-slip was also ruled out as a possible mechanism as a majority of dislocations in heteroepitaxial AlN films are threading edge dislocations. While dislocation climb through both vacancy bulk and core diffusion could offer a plausible explanation of the recovery process, the activation energy for the vacancy core diffusion-controlled dislocation climb was relatively low (4.3 ± 0.1 eV), as estimated from an Arrhenius plot. The validity of the vacancy core diffusion mechanism was also supported by a large vacancy mean free path (～240 nm), which was comparable to the sample thickness and thus the average dislocation length. Finally, the experimentally observed dislocation density reduction as a function of the annealing temperature and time was in good agreement with the vacancy core diffusion mechanism.
关键词： dislocation annihilation,high temperature annealing,AlN heteroepitaxial films,recovery kinetics,vacancy core diffusion
更新于2025-09-23 15:19:57
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Rational Control of WSe<sub>2</sub> Layer Number via Hydrogen-Controlled Chemical Vapor Deposition
摘要： Transition metal dichalcogenides are a promising family of materials for electronics and optoelectronics, in part due to their range of bandgaps that can be modulated by layer number. Here, we show that WSe2 can be selectively grown with one, two, or three layers, as regulated by a one-step hydrogen-controlled chemical vapor deposition (H-CVD) process involving cyclical pulses of H2 flow. The physical and vibrational properties of the resulting mono-, bi-, and tri-layer WSe2 films are characterized by atomic force microscopy and Raman spectroscopy. Modifying the H-CVD process to include more than three H2 pulses results in thicker WSe2 films, however the thickness of these films is not well controlled and feature small, bulk-like pyramidal islands. Transmission electron microscopy analysis reveals that most of these islands exhibit a spiral structure and appear to be grown via screw-dislocation-driven growth, similar to other works. Therefore, the H-CVD process is demonstrated to be a powerful tool for controlling the layer thickness of WSe2, but its practicality is limited to the few-layer regime.
关键词： Chemical vapor deposition,Transition metal dichalcogenides,Screw-dislocation-driven growth
更新于2025-09-23 15:19:57