[Wien] Comparison between bulk and slab 2P core-levels

Michael Gurnett michael.gurnett at kau.se
Wed Nov 17 16:21:33 CET 2004


Hello

I¨ve calculated a core-levels for a slab of Si, and found that the bulk like core levels were approximaely -6.42 ryd. However, when I do the same calculation for an infinite crystal the core-levels are found to be -6.22. This difference is comparible with the work function (0.22 for the work function against 0.2). Is the work function the reason for this difference or is is coincidental. If it's not the work function, what might it be.

Thank you

Michael
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20041117/2db3d086/attachment.html


More information about the Wien mailing list