Comment on “Erratum: ‘Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations’ [Appl. Phys. Lett. 119, 142102 (2021)]”
[Appl. Phys. Lett. 120, 189901 (2022)]
- authored by
- Bohayra Mortazavi, Fazel Shojaei, Masoud Shahrokhi
- Abstract
Recently, Bafekry et al.1 reported their density functional theory (DFT) results on the elastic constants of C6N7 monolayer. They predicted non-zero elastic constants along the out-of-plane direction for a single-layered material, which contradicts with basic physics of the stiffness tensor for plane stress condition. Moreover, in their work, Young’s modulus is erroneously calculated. On the basis of DFT calculations, herein, we predicted C11, C12, and C66 of the C6N7 monolayer to be 286, 73, and 107 GPa, respectively, equivalent with an in-plane Young’s modulus of 267 GPa. Using DFT calculations and a machine learning interatomic potential, we also show that the C6N7 monolayer shows isotropic elasticity. (Figure presented).
- Organisation(s)
-
Institute of Photonics
PhoenixD: Photonics, Optics, and Engineering - Innovation Across Disciplines
- External Organisation(s)
-
Persian Gulf University
- Type
- Commentary in journal
- Journal
- Applied physics letters
- Volume
- 121
- ISSN
- 0003-6951
- Publication date
- 01.08.2022
- Publication status
- Published
- Peer reviewed
- Yes
- ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)
- Electronic version(s)
-
https://doi.org/10.1063/5.0098022 (Access:
Open)
