Abstract
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.
Original language | English |
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Pages (from-to) | 83-86 |
Number of pages | 4 |
Journal | Journal of Molecular Structure: THEOCHEM |
Volume | 674 |
Issue number | 1-3 |
DOIs | |
Publication status | Published - Apr 2004 |
Scopus Subject Areas
- Biochemistry
- Condensed Matter Physics
- Physical and Theoretical Chemistry
User-Defined Keywords
- B3LYP
- Density functional theory
- Ge
- Germanium
- Isomers