TY - JOUR
T1 - Reply to comment on 'The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals'
AU - Haastrup, Sten
AU - Strange, Mikkel
AU - Pandey, Mohnish
AU - Deilmann, Thorsten
AU - Schmidt, Per Simmendefeldt
AU - Hinsche, Nicki Frank
AU - Gjerding, Morten Niklas
AU - Torelli, Daniele
AU - Larsen, Peter Mahler
AU - Riis-Jensen, Anders Christian
AU - Gath, Jakob
AU - Jacobsen, Karsten Wedel
AU - Mortensen, Jens Jørgen
AU - Olsen, Thomas
AU - Thygesen, Kristian Sommer
PY - 2019
Y1 - 2019
N2 -
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.
AB -
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.
KW - 2D materials
KW - High-throughput
KW - Database
KW - Density functional theory
U2 - 10.1088/2053-1583/ab2f00
DO - 10.1088/2053-1583/ab2f00
M3 - Journal article
SN - 2053-1583
VL - 6
JO - 2D materials
JF - 2D materials
IS - 4
M1 - 048002
ER -