Research Article
On the Electronic Effect of V, Fe, and Ni on MgO(100) and BaO(100) Surface: An Explanation from a Periodic Density Functional
Figure 3
EDD for the V (a), Fe (b), and Ni (c) doped BaO(100) surfaces. The blue region corresponds to a density gain and the yellow region to a density loss. Oxygen atoms in red balls and metal atoms in green balls. For a better overview, only a 1 × 1 × 1 cell was used.
(a) |
(b) |
(c) |