Silicon Carbide Single Crystals Research Articles

Micromechanical properties characterization of 4H–SiC single crystal by indentation and scratch methods

Growth and micromachining of single crystal silicon carbide (SiC) have drawn extensive attention in wide bandgap semiconductors and remained challenging. The micromechanical properties (i.e., hardness, elastic modulus, fracture toughness), which are the key to machinability and machining quality (and therefore the yield of the grown SiC), of 4H–SiC were assessed by nanoindentation, microhardness, and microscratch tests. Consistent values of true indentation hardness of 4H–SiC can be obtained by different approaches without the need for the area function of the indenter. Accurate determination of elastic modulus (i.e., 583.5 GPa) and indentation hardness (i.e., 38 GPa) of 4H–SiC by the instrumented indentation technique requires low loads with slight indentation-induced damage. Consistent values of fracture toughness Kc of 4H–SiC were obtained by different methods such as the Vickers/Berkovich indenter-induced cracking method (2.1 MPa·m1/2), energy-based nanoindentation approaches (the critical void volume fraction of 0.062 should be used for 4H–SiC when the deterioration of indentation hardness is used), and linear elastic fracture mechanics (LEFM)-based scratch approach with a spherical indenter (2.6 MPa·m1/2). This work provides the guidance for the mechanical machining of 4H–SiC wafers and the paradigm of micromechanical characterization of brittle solids by indentation and scratch technologies.

Sustainable Electrochemical Mechanical Polishing (ECMP) for 4H-SiC wafer using chemical-free polishing slurry with hydrocarbon-based solid polymer electrolyte

Large-diameter single-crystal silicon carbide (SiC) wafers with good surface quality are desirable to dramatically improve the performance of SiC-based power electronic devices. However, the preparation of such wafers using a strong oxidative polishing slurry has the limitations of low material removal rate (MRR) and high environmental impact. Electrochemical–mechanical polishing (ECMP) initiates surface removal by electrochemical oxidation without using harsh chemicals, making it an alternative with low environmental impact to conventional polishing. Herein, we propose the use of polystyrene sulfonic acid (PSS), a hydrocarbon-based polymer electrolyte without perfluoro compounds, for ECMP. The SiC surface was effectively oxidized by ECMP using PSS. The effects of the polyelectrolyte crosslinking treatment on the lifetime of polyelectrolyte-incorporated nonwoven cloths were investigated. The optimum electrolytic and mechanical conditions yielded high MRRs of 37 and 14 µm/h for 2- and 4-inch SiC wafers. Moreover, the surface morphologies of the growth face and nonfacet areas was discussed. The wafer-scale evaluation demonstrated the roughness reduction to 0.85 nm Sa (average) after 15-min ECMP of the 4-inch wafer. The polishing-induced residual stress was investigated using microscale and wafer-scale Raman mapping. Overall, the proposed ECMP process offers significant advantages in terms of speed, cost-effectiveness, and environmental impact.

Diameter enlargement of SiC bulk single crystals based on simulation and experiment

This study employs the physical vapor transport method for diameter enlargement of silicon carbide single crystal. Numerical simulations were utilized to investigate the impact of different crucible designs on crystal enlargement. The guiding angle and ratio of seed diameter to crucible inner diameter are thoroughly examined in this study. Simulations demonstrated that under appropriate conditions for crystal growth, there is no deposition of poly-SiC around the periphery of ingot. These findings were well validated through crystal growth experiments. Subsequently, the crucible was optimized based on the simulation results for crystal growth. The final achievement was the successful enlargement of silicon carbide single crystal from 150 mm to 200 mm, with Raman mapping analysis confirming the absence of foreign polytypes around the periphery of ingot.

High-efficiency green machining of single crystal 4H–SiC based on tribo-oxidation

High efficiency, high quality and green machining of single crystal silicon carbide (SiC) is an important issue in the third-generation semiconductor industry. In this paper, a novel machining method for single crystal SiC based on tribo-oxidation is proposed. The formula and preparation process of polysaccharide bonded soft abrasive tool were designed. Dry machining of C-face of 4H–SiC substrate was carried out with the prepared environmentally friendly abrasive tool sample. The material removal mechanism of the proposed machining method was preliminarily analyzed, and the material removal rate, surface roughness and subsurface residual stress were studied. The experimental results show that the maximum material removal rate of 4H–SiC can reach 1.03 μm/min with a corresponding average surface roughness of Sa 0.816 nm. The machined surface has no brittle flaw, and subsurface residual compressive stress exists with a maximum value of 58.9 MPa. The material removal mainly attributed to the active oxidation of SiC surface induced by the friction between alumina abrasives and SiC substrate. The proposed machining method has potential application value in thinning of SiC wafers.

Influence of diamond abrasives on material removal of single crystal SiC in mechanical dicing

Mechanical dicing is a critical step in producing electronic chips and devices. Single crystal silicon carbide (SiC) is a vital wafer material in modern electronic chips because of its exceptional physical properties, such as wide bandgap and high breakdown voltage. However, the high hardness of SiC makes it extremely challenging to achieve the dicing quality required for the reliable functioning of electronic chips. The removal characteristics of single crystal SiC in mechanical dicing process remains largely unclear. This work aims to systematically investigate the influences of diamond abrasives in ultrathin blades on the dicing force, chipping size, surface roughness, and material removal of single crystal SiC in mechanical dicing. Experimental results indicate the diamond abrasives considerably affect the chipping formation and the material removal of SiC workpieces by changing the undeformed chip thickness. Theoretical analysis based on the classic brittle-ductile transition model reveals that single crystal SiC can be removed in a ductile-like mode using relatively large abrasive size and low concentration, as long as the undeformed chip thickness is sufficiently smaller than the calculated critical depth of cutting. In addition, the mounting method of single crystal SiC workpieces and the wear characteristics of diamond blades play a crucial role in the removal behaviours and, therefore, the dicing quality. An example was given to demonstrate the feasibility of simultaneously improving the dicing quality and the removal rate via appropriately increasing concentration and reducing sizes of abrasives in ultrathin blades. Ultimately, the findings in this research provide a guideline for further optimization of the dicing tools and parameters for other hard-and-brittle solids.

Enhancing growth speed of 3C–SiC using solution growth method by a new low temperature Mn-based cosolvent

Solution growth is a promising method for rapidly and stably preparing high-quality silicon carbide (SiC) single crystals. However, the coexistence of polycrystalline parasitism and solid inclusions during the growth of SiC in high-temperature solutions above 1800 °C still poses a serious threat to the quality of single crystals. Herein, we introduce an innovative Mn-based cosolvent for controlling the stable and fast growth of cubic-type silicon carbide (3C–SiC) single crystals at low temperatures. Firstly, our thermodynamic analysis reveals that SiC is the only stable solid compound in the low-temperature solution (1500–1600 °C) of the Si–Mn–C system, which is an important condition for the stable growth of crystals. Compared to typical solvents like Si–Cr, Si–Ti, and Si–Fe, the Si–Mn solvent exhibits the highest solubility and supersaturation for carbon. Secondly, our solubility calculations of SiC in the solvent show that the Mn-rich solvent can significantly increase the solubility of SiC. Thirdly, we successfully grew 3C–SiC single crystals from Si–Mn solution at 1500 °C without other SiC polymorphs produced. Rapid growth of SiC crystals in Mn-rich solution was achieved by modulating the content of Mn. Our work highlights the superiority of Si–Mn cosolvents in facilitating rapid growth of 3C–SiC single crystals at low temperatures. It introduces a novel approach by applying phase diagram calculation techniques to design suitable solvent systems for the solution growth of SiC single crystals.

Indentation fracture of 4H-SiC single crystal

Understanding the deformation and fracture behavior of single crystal silicon carbide (SiC) under a single particle is of scientific and practical importance for the micromachining of single crystal SiC. In this work, we investigate the indentation fracture of a 4H-SiC single crystal wafer with the indentation direction perpendicular to (0001) plane, using Berkovich, Vickers, and Knoop indenters. All the indentations create radial cracks for the normal loads used in this work. Both the Vickers and Knoop hardness tests produce lateral cracks. The fracture toughness calculated from the Vickers hardness tests is smaller than the ones calculated from the Knoop hardness tests and the Berkovich indentations under large indentation loads. The fracture toughness of 4H-SiC single crystal decreases with the increase of the indentation load under small indentation loads for the Berkovich indentations, revealing the phenomenon of surface hardening. The surface energy calculated from the radial cracks is comparable to the results reported in the literature. We establish an analytical expression of the total energy dissipation of a single indentation cycle, including the contribution of indentation-induced cracking, which offers an approach to calculate the ratio of the energy dissipation due to cracking to the energy dissipation due to plastic deformation and determine the dominant deformation process controlling the indentation deformation. The analysis of the energy dissipation for the indentations of the 4H-SiC single crystal by the Berkovich indenter reveals that the energy dissipation from the indentation-induced cracking is significantly larger than (more than eight times) that from plastic deformation for the indentation loads larger than 75 mN.

The improvement in heat transfer performance of single crystal silicon carbide with diamond film

In order to reduce the temperature of SiC-based electronic power devices during operation, the diamond films of different thickness were grown on 4H-SiC substrates by microwave plasma chemical vapor deposition (MPCVD) method. The thermal conductivity of the composite with 92 μm thick diamond film was measured to be 429.97 W/(m·K) by laser flash method, which is 53.56 % higher than that of individual 4H-SiC. The diamond/SiC composite was heated on the heat stage to investigate its heat transfer characteristics. The heat spread performance was improved by more than 10 %, which benefits the reliability and the service life of the electronic power device. The solid heat transfer was also simulated by COMSOL software. It was found that the thicker diamond film, the higher thermal conductivity. The thermal resistance of the interface between diamond and single crystal SiC would lead to the decrease of thermal conductivity of the composite.

Study on Plastic Deformation Removal Mechanism and Dislocation Change in Nanogrinding of Single Crystal Silicon Carbide with Random Rough Surface

This investigation centers on exploring the plastic deformation removal mechanism and dislocation dynamics in the nanogrinding of single‐crystal silicon carbide featuring a randomly rough surface. To simulate this, an approach combining the Weierstrass–Mandelbrot fractal surface function with molecular dynamics is employed. Randomly rough surface contours are generated using the Weierstrass–Mandelbrot fractal surface function. By adjusting the fractal dimension, an ideal representation of single‐crystal silicon carbide with randomly rough surfaces is obtained. By combining plastic deformation detection methods, the process of workpiece sliding, plowing, and chip removal is studied, and the plastic deformation removal mechanism of random rough surface grinding is explored. Combining postprocessing methods such as sheer strain and dislocation trajectory, the morphological changes and transformation mechanisms of dislocations are analyzed. Notably, at grinding depth of 33.18 nm, the activation of slip systems induces dislocation formation, enabling plastic deformation. Furthermore, at depths exceeding 144.00‐nm, the emergence of stacking faults on the random rough surface is observed. Throughout the grinding procedure, plastic deformation of debris occurs, leading to the formation of plastic bulges on both sides of the tool, and the debris generated during processing does not impact the defects encountered during secondary grinding of the rough surface.

Ultrahigh-mobility semiconducting epitaxial graphene on silicon carbide.

Semiconducting graphene plays an important part in graphene nanoelectronics because of the lack of an intrinsic bandgap in graphene1. In the past two decades, attempts to modify the bandgap either by quantum confinement or by chemical functionalization failed to produce viable semiconducting graphene. Here we demonstrate that semiconducting epigraphene (SEG) on single-crystal silicon carbide substrates has a band gap of 0.6 eV and room temperature mobilities exceeding 5,000 cm2 V-1 s-1, which is 10 times larger than that of silicon and 20 times larger than that of the other two-dimensional semiconductors. It is well known that when silicon evaporates from silicon carbide crystal surfaces, the carbon-rich surface crystallizes to produce graphene multilayers2. The first graphitic layer to form on the silicon-terminated face of SiC is an insulating epigraphene layer that is partially covalently bonded to the SiC surface3. Spectroscopic measurements of this buffer layer4 demonstrated semiconducting signatures4, but the mobilities of this layer were limited because of disorder5. Here we demonstrate a quasi-equilibrium annealing method that produces SEG (that is, a well-ordered buffer layer) on macroscopic atomically flat terraces. The SEG lattice is aligned with the SiC substrate. It is chemically, mechanically and thermally robust and can be patterned and seamlessly connected to semimetallic epigraphene using conventional semiconductor fabrication techniques. These essential properties make SEG suitable for nanoelectronics.

Silicon carbide single crystals for high-temperature supercapacitors.

Designing advanced electrode materials that can be reliably cycled at high temperatures and used for assembling advanced energy storage devices remain a major challenge. As a representative of novel wide bandgap semiconductors, silicon carbide (SiC) single crystals have broad prospects in high-temperature energy storage due to their excellent characteristics such as low thermal expansion coefficient, high temperature radiation resistance and stable chemical properties. In this work, an N-type SiC single-crystal material with a high-density porous structure was successfully designed and prepared by using an improved electrochemical anodic oxidation strategy. Besides, the N-type SiC single crystals were used in electrochemical energy storage as an integrated electrode material, exhibiting superior electrochemical performance. In addition, the high-temperature supercapacitor device assembled with ionic liquids has a wide operating temperature range and maintains a capacity of 88.24% after 5000 cycles at 150 °C. The reasons for its high energy storage performance are discussed through electrochemical tests and first-principles calculation methods. This study proves that the application of SiC single crystals in supercapacitor devices has great potential in the field of high-temperature energy storage, providing a reference for the further development of novel semiconductors in the field of energy storage and optoelectronic devices.

Ultra-Smooth Polishing of Single-Crystal Silicon Carbide by Pulsed-Ion-Beam Sputtering of Quantum-Dot Sacrificial Layers.

Single-crystal silicon carbide has excellent electrical, mechanical, and chemical properties. However, due to its high hardness material properties, achieving high-precision manufacturing of single-crystal silicon carbide with an ultra-smooth surface is difficult. In this work, quantum dots were introduced as a sacrificial layer in polishing for pulsed-ion-beam sputtering of single-crystal SiC. The surface of single-crystal silicon carbide with a quantum-dot sacrificial layer was sputtered using a pulsed-ion beam and compared with the surface of single-crystal silicon carbide sputtered directly. The surface roughness evolution of single-crystal silicon carbide etched using a pulsed ion beam was studied, and the mechanism of sacrificial layer sputtering was analyzed theoretically. The results show that direct sputtering of single-crystal silicon carbide will deteriorate the surface quality. On the contrary, the surface roughness of single-crystal silicon carbide with a quantum-dot sacrificial layer added using pulsed-ion-beam sputtering was effectively suppressed, the surface shape accuracy of the Ø120 mm sample was converged to 7.63 nm RMS, and the roughness was reduced to 0.21 nm RMS. Therefore, the single-crystal silicon carbide with the quantum-dot sacrificial layer added via pulsed-ion-beam sputtering can effectively reduce the micro-morphology roughness phenomenon caused by ion-beam sputtering, and it is expected to realize the manufacture of a high-precision ultra-smooth surface of single-crystal silicon carbide.

Residual stress dynamic detection and vibration characteristics of wire saw busbar

Diamond wire saw cutting is the primary method for processing single crystal silicon carbide (SiC) and silicon (Si) in the photovoltaic and semiconductor industries, the diamond wire saw is formed by busbar electroplate diamond particles, and the diamond wire saw busbar is drawn from steel wires, and the residual stress generated during the drawing process is a critical factor to determine whether the busbar is easy to break. This paper proposes a method to assess residual stress by measuring the free vibration frequency of the busbar, which detects residual stress of busbars with extremely fine and ultra-long (lengths of up to 250 km and diameters as small as 0.04 mm) for real-time, accurate, non-destructive way. First, the residual stress distribution of the drawn busbar is obtained by Abaqus simulation, according to the simulation results, this paper analyzes the mechanical mechanism underlying different types of free bending in the busbar, and develops the relationship between the free bending circle diameter and the residual stresses; Then, the residual stresses are equated with the axial tensile stresses of the busbar by numerical methods, the equivalent mathematical model of the stresses is developed, and the correctness of the model is verified by experiment. Finally, the dynamic model of the moving busbar with residual stresses is established, the effects of different tensions and velocity on the free vibration characteristics of the busbar under residual stresses are analyzed, and the correctness of the detection method is verified by numerical calculations and experimental comparisons. The results show that the residual stress of busbar drawing can be equivalent to tensile force numerically, and the larger the residual stress, the smaller the circle diameter of the busbar, and the larger the first-order natural frequency of free vibration.

Compound mechanical and chemical-mechanical polishing processing technique for single-crystal silicon carbide

In this study, a novel polishing approach was proposed, that combined nanodiamond mechanical polishing (MP) with silicon dioxide chemical-mechanical polishing (CMP) to achieve the high-quality and high-efficiency processing of single-crystal silicon carbide (SiC). A compound-polishing experiment was conducted to evaluate the material-removal rate (MRR) and surface roughness. The results showed that MP had a high MRR and poor surface quality, whereas CMP obtained a better surface quality; however, its MRR was low. Using surface roughness as the research target, the relationship between MP and CMP was then obtained through a combined process optimisation analysis. Consequently, the compound-polishing method was revealed in terms of the material-removal mechanism, with the surface quality being related to the formation rate of the oxidation reaction layer. Finally, the effectiveness of the compound-polishing method was experimentally verified. For the same surface accuracy, the polishing efficiency of this method improved by 30 % compared to that of CMP. The results proved the proposed compound-polishing approach to be beneficial for enhancing the machining accuracy and efficiency of a single-crystal SiC substrate.

Mechanical Behaviors of the Single Crystal Two-Dimensional Silicon Carbide (SiC): A Molecular Dynamics Insight

This paper focuses on the two-dimensional silicon carbide (2D-SiC), which has an excellent opportunity to be used as an alternative to graphene in nanotechnologies such as in nanoelectronics, nanoelectromechanical systems (NEMS), nano-sensors, nano-energy harvesting devices, and nano-composites due to its unique structural, mechanical, electronic, and thermal properties. Their mechanical properties characterize the stability of the nanodevices. This study performs molecular dynamics (MD) simulation to examine the mechanical properties based on optimized Tersoff potential of the single crystal 2D-SiC at different temperatures, strain rates, point vacancies, and edge cracks. At room temperature (300 K), the obtained elastic modulus and fracture strength are 423 GPa and 68.89 GPa, respectively, along the armchair direction. As the temperature rises from 100 K to 800 K, the fracture stress falls by 21.96% and the fracture strain by 36.90%. An approximate linear reduction in fracture strength is noticed as the temperature rises from 100 K to 800 K. The elastic modulus also falls as the temperature rises but is not significant. Although the elastic modulus is unchanged, the fracture stress increases by 1.84% while the fracture strain increases by 5.84% for a change in strain rate from 0.0001 ps-1 to 0.005 ps-1. The fracture stress and strain are significantly reduced, primarily due to the edge crack, as the concentration of point vacancy grows from 0.1% to 0.6% and the edge crack size increases from 0.5 nm to 1.5 nm. Moreover, anisotropic behavior is also evaluated at 300 K temperature and 0.001 ps-1 strain rate. These findings would offer a deep understanding of the fracture mechanics of 2D-SiC and also help to address the mechanical instability issue with SiC-based nanodevices.

Precision grinding of ceramics and ceramic-matrix composites surfaces with controllable microarray structures

The precision micro-tip truing and micro-grinding technology is proposed to process controllable microarray structures on the surfaces of ceramics and ceramic-matrix composites in this paper. It involves the mechanical truing of a metal-bonded diamond grinding wheel along V-shaped cross interpolation trajectories for creating sharp cutting edges. The trued V-tip grinding wheel was utilized to machine regular microarray structures on the surfaces of single crystal silicon carbide (SiC), silicon carbide reinforced aluminum (Al/SiCp), reaction-bonded silicon carbide (RB-SiC) and glass ceramic. The morphology of the trued grinding wheel, as well as the V-tip profile, arc radius, tip angle, form accuracy, and morphology of the ground microarray structures were analyzed. The results indicate that ground RB-SiC surface exhibits the highest processing quality, while glass ceramic has the lowest. Additionally, the errors of the bottom angle of V-grooves on all four ceramic materials are less than 1°, and form accuracy PV value is controlled within 18 µm. Overall, it is a highly efficient and accurate method for processing microarray structures on ceramics and ceramic-matrix composites.

Mechanisms of tool-workpiece interaction in ultraprecision diamond turning of single-crystal SiC for curved microstructures

Single-crystal silicon carbide (SiC) is one of the most attractive materials for electronics and optics but extremely difficult to cut owing to its hard and brittle properties. While in previous studies, the focus has been placed on machining flat surfaces, in this study, the mechanisms of tool-workpiece interaction in cutting curved microstructures on 4H–SiC (0001) were explored through the ultraprecision diamond turning of micro-dimples. The surface/subsurface of both machined workpieces and used diamond tools were characterized, and the machining characteristics, such as chip formation and cutting forces, were also investigated. It was found that microcracks occurred easily in the feed-in/cut-in area of the dimples, which is caused by a large friction-induced tensile stress due to a large thrust force. The dimples located on the secondary cleavage directions <10−10> (S-dimples) were easy to produce crack-free surfaces, while the dimples located on the primary cleavage directions <−12−10> (P-dimples) were very prone to cause cracks on surfaces, even though the chips were formed in a ductile mode. The dimples located on the in-between direction (I-dimples) were moderately prone to surface cracking. It was also found that although the S-dimple has a crack-free surface, it has the thickest subsurface damage (SSD) layer containing a disordered layer, dislocations, and stacking faults; the SSD layer of the P- and I-dimples do not contain stacking faults; and the SSD layer of the I-dimple is the thinnest. Flank wear with nanoscale grooves on the diamond tool was significant without edge chipping and diamond graphitization detected. By optimizing the cutting conditions, a crack-free micro-dimple array was fabricated with nanometric surface roughness. The findings from this study provide guidance for the manufacture of curved SiC parts with high surface integrity, such as molds for replicating microlens arrays and other freeform surfaces on glass.

Influence of crystallographic effect on tool wear, cutting stress, cutting temperature, cutting force and subsurface damage in nano cutting of single crystal silicon carbide

Single crystal 3C-SiC as a typical hard and brittle material. Due to its extremely high hardness and brittleness, diamond tools can have drastic wear problems in a short period of time when performing nano-machining processes. Single-crystal 3C-SiC has good anisotropy. In order to gain insight into the effect of crystal orientation on the tool wear behavior during nano-cutting, this paper investigated the tool wear for six cutting crystals downward using molecular dynamics simulation. The tool wear process was analyzed in terms of tool wear, cutting stress, cutting temperature, cutting force and subsurface damage. The results showed that the tool is subjected to large hydrostatic stress concentrations, radial forces and tool temperature concentrations during machining. Under these effects, abrasive wear, graphitic wear and amorphous phase change were produced. In addition, the clearance face of the tool is more severely worn than the rake face. By reasonably selecting the cutting crystal orientation, well control and improvement of tool wear and machined surface quality can be achieved.

Experimental Study on Femtosecond Laser Processing Performance of Single-Crystal Silicon Carbide

Femtosecond laser processing technology offers a promising technique for the preparation of micro and nanostructures of single-crystal silicon carbide (SiC), thanks to its high precision and non-destructive processing. However, further research is needed to optimize processing parameters, as well as improve efficiency and quality of the process. This study conducts experiments to explore the effects of femtosecond laser ablation on single-crystal SiC. The influence and significance of parameters, such as fluence (F), repetition rate, scan speed (S), multipass scanning (c) and numerical aperture on the performance of grooves, including groove depth, groove width, heat-affected zone (HAZ) width, material removal rate (MRR) and side wall inclination angle, were studied. The results show that the influence of fluence and numerical aperture on groove depth, groove width, HAZ width, MRR and side wall inclination angle is very significant. The scan speed has a very significant effect on the groove depth, groove width, HAZ width and side wall inclination angle but has insignificant effect on the MRR. Repetition rate and multipass scanning have a very significant effect on groove depth, HAZ width, MRR and side wall inclination angle and a moderately significant effect on groove width. The experimental methods of increasing the aspect ratio and reducing the HAZ width were studied, and a significance analysis was carried out. Fluence, multipass scanning and z-layer feed have significant effects on groove depth, groove width, aspect ratio, HAZ width and MRR. The influence of polarization angle on groove depth, groove width, aspect ratio and MRR is insignificant.

Nano-polishing characteristics in vibration-assisted CMP of single-crystal silicon carbide via molecular dynamics simulations

Vibration-assisted CMP can effectively improve the quality and efficiency of nano-polishing, but the mechanism of the interaction between the substrate, solution and abrasive atoms has not been thoroughly investigated. In this paper, a single-crystal silicon carbide material was taken as an example. The characteristics of atomic oxidation, removal and damage on nano-polished silicon carbide substrate under the assistance of chemical solution and abrasive vibration were studied using ReaxFF molecular dynamics simulation. The simulation results show that the vibration behavior of abrasive reduces the tangential and normal force, and evenly distributes the mechanical force in X, Y and Z directions. Moreover, the anisotropy of the atomic motion trajectory is stronger, the displacement vector is larger, and the distribution of displacement values is more dispersed. In addition, the phenomenon of atomic hybridization on the silicon carbide substrate is more obvious, the number of dangling bonds is significantly increased, the surface of the substrate formed more oxidation bonds, the removal of atoms is also effectively increased. At the same time, it is found that the larger the amplitude, the larger the potential energy of the substrate, the more dangling bonds contained, the more oxidation bonds formed, the more atoms removed, the better the uniformity of the force component. As the normal force is effectively reduced, the damage degree of substrate subsurface is reduced. Increasing the frequency can effectively activate the internal structure of the crystal, reduce the damage caused by mechanical abrasion, and facilitate the oxidation and removal of substrate atoms. However, if the frequency is too high, the interaction time between the substrate and the abrasive decreases, and the substrate atomic displacement is prone to elastic recovery, which inhibits atomic detachment from the substrate. Furthermore, the stress concentration generated by the accumulation of defects inside the substrate is more severe, making it difficult to release the residual stress. This paper will provide a new way to optimize the vibration-assisted CMP process and achieve non-damage nano-polishing of crystal materials through the study of the micro-oxidation and removal behavior of the substrate atoms.