Density functional theory data.zip
Density functional theory data
Optimized Configurations
Binding energies
Al.cif
7.5 kB
Nanotiwn Si.cif
7.7 kB
Si .cif
4.4 kB
Diffusion pathway and calculated energy
Al
00.cif
7.5 kB
01.cif
7.5 kB
02.cif
7.5 kB
03.cif
7.5 kB
04.cif
7.5 kB
05.cif
7.5 kB
06.cif
7.5 kB
07.cif
7.5 kB
08.cif
7.5 kB
Si
00.cif
4.4 kB
01.cif
4.4 kB
02.cif
4.4 kB
03.cif
4.4 kB
04.cif
4.4 kB
05.cif
4.4 kB
06.cif
4.4 kB
07.cif
4.4 kB
08.cif
4.4 kB
TwinSi
00.cif
7.7 kB
01.cif
7.7 kB
02.cif
7.7 kB
03.cif
7.7 kB
04.cif
7.7 kB
05.cif
7.7 kB
06.cif
7.7 kB
07.cif
7.7 kB
08.cif
7.7 kB
Readme.txt
299 Bytes