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)]
- verfasst von
- 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).
- Organisationseinheit(en)
-
Institut für Photonik
PhoenixD: Simulation, Fabrikation und Anwendung optischer Systeme
- Externe Organisation(en)
-
Persian Gulf University
- Typ
- Kommentar in Fachzeitschrift
- Journal
- Applied physics letters
- Band
- 121
- ISSN
- 0003-6951
- Publikationsdatum
- 01.08.2022
- Publikationsstatus
- Veröffentlicht
- Peer-reviewed
- Ja
- ASJC Scopus Sachgebiete
- Physik und Astronomie (sonstige)
- Elektronische Version(en)
-
https://doi.org/10.1063/5.0098022 (Zugang:
Offen)
