Previous abstract
Next abstract
Session Q13 - DCMP: Elemental and Compound Glasses
Invited session, Friday morning, March 24, 8:00
Room B4, San Jose Convention Center
Local basis density functional methods are used to compute AC electric conductivity for supercell models of amorphous carbon ^1 with densities between 2.0 and 3.5 gm/cc. These calculations based upon Kubo-Greenwood formula. The effects of H will also be briefly considered. The effect of Brillouin zone sampling will be described. Test calculations for a simple metal (Al) will also be included.
^1 U. Stephan, Th. Frauenheim, P. Blaudeck, G. Jungnickel, Phys. Rev. B 49, 1489 (1994).