Polymorphic Janus ZrSC Monolayer: A First-Principles Study of Structural, Mechanical, Vibrational, and Electronic Properties

Key Points

• The research aims to investigate the structural, mechanical, vibrational, and electronic properties of the ZrSC monolayer.
• Conducted a first-principles study using density functional theory.
• Analyzed the structural stability and mechanical properties.
• Evaluated the vibrational characteristics and electronic band structure.
• Confirmed the stability of the ZrSC monolayer under various conditions.
• Identified significant mechanical strength, suggesting suitable applications in nanotechnology.
• Revealed favorable electronic properties indicating potential in semiconductor technologies.