Structural stability and electron‐phonon coupling in two‐dimensional carbon allotropes at high electronic and atomic temperatures. (October 2021)

• Record Type: Journal Article
• Authors: Medvedev, N.; Milov, I.; Ziaja, B.
• Is Part Of: Carbon trends. Number 5(2021)
• Publication Date: 2021-10
• Subjects: Graphene -- Pentaheptite -- Biphenylene network -- Nonthermal melting -- Electron-phonon coupling -- Laser irradiation; Carbon -- Periodicals; Carbon composites -- Periodicals; Carbon; Carbon composites; Periodicals; 620.193
• DOI: 10.1016/j.cartre.2021.100121
• Languages: English
• ISSNs: 2667-0569

Abstract

Graphical abstract: Image, graphical abstract Abstract: Several two-dimensional carbon allotropes have been recently fabricated experimentally, triggering various innovative research and technological applications. The properties of such 2d materials under extreme conditions are to a large extent unknown. In this work, we study theoretically the effects of high electronic and atomic temperatures on free-standing graphene, pentaheptite, and biphenylene network. We analyse the limits of their structural stability with respect to thermal and nonthermal damage. With a state-of-the-art approach, we calculate the electronic heat capacity and the electron-phonon coupling parameter dependent on both electronic and atomic temperatures. The knowledge of these parameters may facilitate modelling of various two-dimensional carbon allotropes under laser pulse irradiation, improving understanding of their behaviour in experimental applications.