Modification mechanism of collaborative ions implanted into 4H-SiC by atomic simulation and experiment

Qiang, Kang; Fang, Xudong; Wu, Chen; Sun, Hao; Tian, Bian; Zhao, Libo; Wang, Songli; Jiang, Zhuangde; Zhu, Nan; Maeda, Ryutaro; Zhang, Meiju; Lv, Yuanjie

doi:10.1016/j.ijmecsci.2021.106832

Cited by 17 publications

(3 citation statements)

References 65 publications

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“…In the CMP process, (x 0 , y 0 , z 0 ) are the initial coordinates of the Si and C atoms, and (x 1 , y 1 , z 1 ) are the position of the Si and C atoms. Previous studies have shown, through the analysis of the radial distribution function, that Si-C in SiC is no longer bonded when the distance is greater than 2.6 Å [ 15 ]. Thus, in this study, the amount of removal is defined by the number of SiCatoms with a displacement, d, greater than 2.6 Å during CMP.…”

Section: Resultsmentioning

confidence: 99%

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Atomistic Removal Mechanisms of SiC in Hydrogen Peroxide Solution

Man,

Sun,

Wang

et al. 2024

Micromachines

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To elucidate the atomic mechanisms of the chemical mechanical polishing (CMP) of silicon carbide (SiC), molecular dynamics simulations based on a reactive force field were used to study the sliding process of silica (SiO2) abrasive particles on SiC substrates in an aqueous H2O2 solution. During the CMP process, the formation of Si-O-Si interfacial bridge bonds and the insertion of O atoms at the surface can lead to the breakage of Si-C bonds and even the complete removal of SiC atoms. Furthermore, the removal of C atoms is more difficult than the removal of Si atoms. It is found that the removal of Si atoms largely influences the removal of C atoms. The removal of Si atoms can destroy the lattice structure of the substrate surface, leading the neighboring C atoms to be bumped or even completely removed. Our research shows that the material removal during SiC CMP is a comprehensive result of different atomic-level removal mechanisms, where the formation of Si-O-Si interfacial bridge bonds is widespread throughout the SiC polishing process. The Si-O-Si interfacial bridge bonds are the main removal mechanisms for SiC atoms. This study provides a new idea for improving the SiC removal process and studying the mechanism during CMP.

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Section: Resultsmentioning

confidence: 99%

“…Molecular Dynamics (MD) simulation is a reliable tool for studying molecular motion from a microscopic perspective [ 15 , 16 , 17 , 18 ]. It has evolved into various theoretical systems to accommodate complex reactions in different environments.…”

Section: Introductionmentioning

confidence: 99%

Atomistic Removal Mechanisms of SiC in Hydrogen Peroxide Solution

Man,

Sun,

Wang

et al. 2024

Micromachines

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“…There are also studies on the synergistic implantation of metal ions and H ions. Kang et al [49] studied the effects of the Cu ion assisted H ion on the modification of 4H-SiC. The studies showed that the ductility and surface toughness of SiC could be improved by metal ion implantation, and the synergistic ion implantation was more effective.…”

Section: Simulation Studies Of Sic Ion Implantationmentioning

confidence: 99%

Molecular Dynamics Simulation Studies of Properties, Preparation, and Performance of Silicon Carbide Materials: A Review

Yan

Liu

et al. 2023

Energies

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Silicon carbide (SiC) materials are widely applied in the field of nuclear materials and semiconductor materials due to their excellent radiation resistance, thermal conductivity, oxidation resistance, and mechanical strength. The molecular dynamics (MD) simulation is an important method to study the properties, preparation, and performance of SiC materials. It has significant advantages at the atomic scale. The common potential functions for MD simulations of silicon carbide materials were summarized firstly based on extensive literatures. The key parameters, complexity, and application scope were compared and analyzed. Then, the MD simulation of SiC properties, preparation, and performance was comprehensively overviewed. The current studies of MD simulation methods and applications of SiC materials were systematically summarized. It was found that the Tersoff potential was the most widely applied potential function for the MD simulation of SiC materials. The construction of more accurate potential functions for special application fields was an important development trend of potential functions. In the MD simulation of SiC properties, the thermal properties and mechanical properties, including thermal conductivity, hardness, elastic modulus, etc., were mainly studied. The correlation between MD simulations of microscopic processes and the properties of macroscopic materials, as well as the methods for obtaining different property parameters, were summarized. In the MD simulation of SiC preparation, ion implantation, polishing, sputtering, deposition, crystal growth, amorphization, etc., were mainly studied. The chemical vapor deposition (CVD) and sintering methods commonly applied in the preparation of SiC nuclear materials were reported rarely and needed to be further studied. In the MD simulation of SiC performance, most of the present studies were related to SiC applications in the nuclear energy research. The irradiation damage simulation in the field of nuclear materials was studied most widely. It can be found that SiC materials in the field of nuclear materials study were a very important topic. Finally, the future perspective of MD simulation studies of SiC materials were given, and development suggestions were summarized. This paper is helpful for understanding and mastering the general method of computation material science aimed at the multi-level analysis. It also has a good reference value in the field of SiC material study and MD method study.

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