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Amorphous carbon films generated through simulated deposition with GAP from 1eV to 100eV

Caro, Miguel A.

These amorphous carbon films were generated following the deposition protocol and methodology outlined by Caro et al., Phys. Rev. Lett. 120, 166101 (2018) and, in more detail, in Caro et al. Phys. Rev. B 102, 174201 (2020). Briefly, the structures were generated by depositing monoenergetic C atoms on a preexisting diamond (111) substrate. The interatomic potential used was the a-C GAP of Deringer and Csányi [Phys. Rev. B 95, 094203 (2017)] and the molecular dynamics simulations (MD) were carried out with QUIP's GAP implementation [http://libatoms.github.io/] using LAMMPS [https://lammps.sandia.gov/] as MD engine.

The final structures of the deposition simulations at 1, 2, 3, 4, 5, 6.5, 8, 10, 20, 60 and 100eV are provided in extended XYZ format, with obvious naming convention.

Files (6.6 MB)
Name Size
film_100eV.xyz
md5:032c8a4f87334e9b9dc9f1b6b9e62473
600.4 kB Download
film_10eV.xyz
md5:eaacb0a0014849eddc6e37b8b973fb77
605.5 kB Download
film_1eV.xyz
md5:736fe06a8aae73a5ae55d95b605ab6bb
587.5 kB Download
film_20eV.xyz
md5:20a87d9aa5ec7103288f3b527461ebda
606.1 kB Download
film_2eV.xyz
md5:1a90010d8109e9dd2daa7ebc3c8903e6
595.9 kB Download
film_3eV.xyz
md5:09314845c5ff5ee9bc4a14b375c51f43
586.1 kB Download
film_4eV.xyz
md5:885a23c1c735844ec7469b1787424409
588.5 kB Download
film_5eV.xyz
md5:c3ac33e207f66f834481dec8c3db63b7
604.0 kB Download
film_6.5eV.xyz
md5:f4d65999725b3439cb65d3935693d3d3
603.4 kB Download
film_60eV.xyz
md5:e4e9dc19668a85c7016ba4185955109c
605.1 kB Download
film_8eV.xyz
md5:d3e2b310547fcd707bbfffc3212dfbac
604.0 kB Download
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