Disorder and surface effects on work function of Ni-Pt metal gates

Abstract

Work functions of NiPt alloys with different compositions are investigated using first-principles methods based on density-functional theory. Results of our calculations reveal that surface alloy composition has a significant effect on the work function of the NiPt alloy. However, for a given surface composition, the work function is insensitive to the distributions of Ni/Pt atoms in the alloy and it is only slightly affected by alloy disorder. Our work suggests surface atomic modification as a promising way of tuning the work function of alloy metal gate. ©2008 The American Physical Society.