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

作者:Xu Guigui*; Wu Qingyun; Chen Zhigao; Huang Zhigao; Wu Rongqin; Feng Yuan Ping
来源:Physical Review B, 2008, 78(11): 115420.
DOI:10.1103/PhysRevB.78.115420

摘要

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.