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Reply to comment on 'The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals'

Authors :
Haastrup, Sten
Strange, Mikkel
Pandey, Mohnish
Deilmann, Thorsten
Schmidt, Per Simmendefeldt
Hinsche, Nicki Frank
Gjerding, Morten Niklas
Torelli, Daniele
Larsen, Peter Mahler
Riis-Jensen, Anders Christian
Gath, Jakob
Jacobsen, Karsten Wedel
Mortensen, Jens Jørgen
Olsen, Thomas
Thygesen, Kristian Sommer
Haastrup, Sten
Strange, Mikkel
Pandey, Mohnish
Deilmann, Thorsten
Schmidt, Per Simmendefeldt
Hinsche, Nicki Frank
Gjerding, Morten Niklas
Torelli, Daniele
Larsen, Peter Mahler
Riis-Jensen, Anders Christian
Gath, Jakob
Jacobsen, Karsten Wedel
Mortensen, Jens Jørgen
Olsen, Thomas
Thygesen, Kristian Sommer
Source :
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 .
Publication Year :
2019

Abstract

In his comment Mazdziarz 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.

Details

Database :
OAIster
Journal :
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 .
Notes :
application/pdf, English
Publication Type :
Electronic Resource
Accession number :
edsoai.on1137572653
Document Type :
Electronic Resource