Abstract:

Thin oxides are used in devices as gate dielectrics. It has been proposed that the current gate oxides be replaced with a high dielectric coefficient oxide, such as ZrO$_{2}$. In this paper the technique of calculating the equilibrium concentration of point defects by ab initio methods will be outlined. As proof of principle, the concentration of various zirconium point defects in silicon will be calculated.

Ab inito methods for calculating the concentration of point defects in semiconductors with application to zirconium in silicon.

S P Beckman
Lawrence Berkeley National Lab
1 Cyclotron Road Mail Stop 66-332
Berkeley, CA 94720

November 25, 2002