Investigation on local structures of Si-Cr-based solvents via ab initio molecular dynamics

Key Points

• This research aims to understand the local structures of Si-Cr-based solvents while dissolving carbon, crucial for SiC single crystal fabrication.
• Utilized ab initio molecular dynamics to study Si-Cr-based solvents.
• Analyzed high-temperature behavior during the carbon dissolution process.
• Identified specific local structures in Si-Cr-based solvents at high temperatures.
• Determined the effect of carbon dissolution on solvent properties.