Structure and Stability of GeAu{sub n}, n = 1-10 clusters: A Density Functional Study

@inproceedings{Priyanka2011StructureAS,
  title={Structure and Stability of GeAu\{sub n\}, n = 1-10 clusters: A Density Functional Study},
  author={Priyanka and Hitesh Sharma and Keya Dharamvir},
  year={2011}
}
The structures of Germanium doped gold clusters GeAun (n = 1–10) have been investigated using ab initio calculations based on density functional theory (DFT). We have obtained ground state geometries of GeAun clusters and have it compared with Silicon doped gold clusters and pure gold clusters. The ground state geometries of the GeAun clusters show patterns similar to silicon doped gold clusters except for n = 5, 6 and 9. The introduction of germanium atom increases the binding energy of gold… CONTINUE READING