Details
| Original language | English |
|---|---|
| Article number | 056101 |
| Journal | Applied physics letters |
| Volume | 121 |
| Issue number | 5 |
| Publication status | Published - 1 Aug 2022 |
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).
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physics and Astronomy (miscellaneous)
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In: Applied physics letters, Vol. 121, No. 5, 056101, 01.08.2022.
Research output: Contribution to journal › Commentary in journal › Research › peer review
}
TY - JOUR
T1 - Comment on “Erratum: ‘Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations’ [Appl. Phys. Lett. 119, 142102 (2021)]”
T2 - [Appl. Phys. Lett. 120, 189901 (2022)]
AU - Mortazavi, Bohayra
AU - Shojaei, Fazel
AU - Shahrokhi, Masoud
N1 - Funding Information: B.M. appreciates the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID: 390833453). F.S. acknowledges the Persian Gulf University Research Council, Iran for support of this study. B.M. acknowledges the VEGAS cluster at Bauhaus University of Weimar for providing the computational resources.
PY - 2022/8/1
Y1 - 2022/8/1
N2 - 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).
AB - 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).
UR - http://www.scopus.com/inward/record.url?scp=85136184613&partnerID=8YFLogxK
U2 - 10.1063/5.0098022
DO - 10.1063/5.0098022
M3 - Commentary in journal
AN - SCOPUS:85136184613
VL - 121
JO - Applied physics letters
JF - Applied physics letters
SN - 0003-6951
IS - 5
M1 - 056101
ER -