Influence of high pressure on the mechanical and electronic properties of T-C9 carbon allotrope based on first-principles studies

Abstract

Based on the first-principles studies, the mechanical and electronic properties of T-C9 carbon allotrope at high pressure are investigated. We studied the ductility, geometric stability, and electronic attributes of T-C9 carbon under pressure. Besides, the mechanical properties of T-C9 carbon, such as ductility, geometric stability, hardness, and various moduli under external pressure are investigated. Also, the electronic attributes of T-C9 carbon namely, the disparity in the energy band gap under extreme pressure are explored. The outcomes demonstrate that the mechanical and electronic properties of T-C9 carbon can be tailored under extreme pressures and can be tuned for engineering applications.

Topics & Concepts