The structures of 11 isomeric germanium Ge11 clusters have been investigated using the B3LYP-DFT method. An undocumented and energetically most stable isomer is predicted. Clusters derived from bi-capped square antiprism structure have the lowest total energies in general. Results herein give a clearer picture of constructing stable and larger Gen clusters (n>11) for the potential application in the semiconductor industry.
Scopus Subject Areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Density functional theory