Silicon Di-interstitials
| DMC Formation Energies (eV) |
|
|
DFT Formation Energies (eV) |
|
A |
Astar |
G1 |
G3 |
|
|
A |
Astar |
G1 |
G3 |
| L-pt 66 atoms DMC |
5.74(12) |
6.94(12) |
6.72(12) |
? |
|
L-pt 66 atoms LDA |
4.58 |
5.27 |
5.09 |
4.86 |
Note: These formation energies are NOT per interstitial.
Return to Silicon interstitials project page
Your comments and
suggestions are appreciated.
To cite this page:
<http://www.physics.ohio-state.edu/~wilkins/group/qmc/data/diint.html>
[Friday, 25-May-2012 18:43:56 EDT]
Edited by: wilkins@mps.ohio-state.edu on
Thursday, 06-Jan-2005 10:57:18 EST