Reply to comment on 'The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals'
| Autor: | Per Simmendefeldt Schmidt, Morten Niklas Gjerding, Thomas Olsen, Daniele Torelli, Jakob Gath, Mohnish Pandey, Peter Mahler Larsen, Mikkel Strange, Anders C. Riis-Jensen, Thorsten Deilmann, N. F. Hinsche, Karsten Wedel Jacobsen, Sten Haastrup, Jens Jørgen Mortensen, Kristian Sommer Thygesen |
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| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Physics
Mechanical Engineering Elastic tensor Stiffness High-throughput General Chemistry Condensed Matter Physics 2D materials Database Planar Shear (geology) Mechanics of Materials Monolayer medicine Density functional theory General Materials Science Statistical physics medicine.symptom Stiffness matrix |
| Zdroj: | Haastrup, S, Strange, M, Pandey, M, Deilmann, T, Schmidt, P S, Hinsche, N F, Gjerding, M N, Torelli, D, Larsen, P M, Riis-Jensen, A C, Gath, J, Jacobsen, K W, Mortensen, J J, Olsen, T & Thygesen, K S 2019, ' Reply to comment on 'The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals' ', 2D materials, vol. 6, no. 4, 048002 . https://doi.org/10.1088/2053-1583/ab2f00 |
| Popis: | In his comment Maździarz 2019 (2D Mater. 6 048001) raises doubts concerning the reliability of our test for dynamical (in particular elastic) stability of monolayer materials, which neglects the shear components of the stiffness tensor and only considers the sign of the planar stiffness coefficients. We agree that our analysis has not been complete, but find that it suffices in practice except for very few cases (less than 1% of the materials). Nevertheless, for completeness we are currently calculating the shear components of the elastic tensor for all the materials in the C2DB. |
| Databáze: | OpenAIRE |
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