Lattice vacancy migration barriers in Fe-Ni alloys, and why Ni atoms diffuse slowly: An ab initio study

Adam M. Fisher, Christopher D. Woodgate, Xiaoyu Zhang +3

The mobility of both Fe and Ni atoms in ferromagnetic Fe${}_x$Ni${}_{1-x}$ alloys ($0.4\le x\le 0.6$) is investigated within the framework of ab initio electronic structure calcula…