First-principles calculations on the mechanical, electronic and thermodynamic properties of t-C88 carbon allotrope under high pressure

• Published in: Physica. B, Condensed matter Vol. 698; p. 416748
• Main Authors: Arjun, P., Nagarajan, V., Chandiramouli, R.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.02.2025
• Subjects: Mechanical stability; t-C88; Universal anisotropy; Young's modulus; Young's modulus; t-C88; Mechanical stability; Universal anisotropy

The new tetragonal carbon allotrope t-C88, which is the subject of this work, is distinguished by its distinct mechanical performance at high pressure and structural characteristics. t-C88 shows hybridization of sp2 and sp3 carbon atoms, in contrast to other carbon compounds that are mostly made of...