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

被引：4
|
作者：
Arjun, P. [1 ]
Nagarajan, V. [2 ]
Chandiramouli, R. [2 ]
机构：
[1] SASTRA Deemed Univ, Sch Mech Engn, Thanjavur, India
[2] SASTRA Deemed Univ, Sch Elect & Elect Engn, Thanjavur 613401, India
来源：
MOLECULAR PHYSICS | 2025年 / 123卷 / 02期
关键词：
Ductility; band gap; mechanical stability; T-C9; carbon; GENERALIZED GRADIENT APPROXIMATION; STABILITY; GRAPHENE; NANOTUBES; FAMILY;
D O I：
10.1080/00268976.2024.2356186
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
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页数：9
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