The simplest dense carbon allotrope: Ultra-hard body-centered tetragonal C4
Langue
en
Article de revue
Ce document a été publié dans
Journal of Solid State Chemistry. 2022, vol. 314, p. 123424
Elsevier
Résumé en anglais
From crystal chemistry rationale and geometry optimization onto ground state structures with DFT-based computations, a novel ultra-hard body centered tetragonal C 4 (tet-C 4) is proposed as the simplest dense carbon ...Lire la suite >
Mots clés en anglais
carbon allotropes
crystal chemistry
DFT
ultra-hard materials
thermal properties
phonons