| Title: | STRUCTURAL AND ELECTRONIC PROPERTIES OF CDTE CLUSTERS |
| DOI No: | 10.1142/9789812701879_0005 |
| Source: | CLUSTERS AND NANO-ASSEMBLIES (pp 39-45)
|
| Author(s): | JEFFREY RUFINUS
Widener University, Science Division, 1 University Place, Chester, PA 19013, USA
|
| Abstract: | We present a density functional study on the structural and electronic properties of small (up to 16 atoms) CdTe semiconductor clusters. The lowest energy structures as well as HOMO-LUMO orbital gaps and binding energies are calculated with the Gaussian 03 program. The clusters with N = 8 to 12 atoms have relatively higher energy gaps with local minima at N = 10. We found that N = 10 cluster is relatively stable and can be a magic number for CdTe clusters. We also find a strong correlation between the HOMO-LUMO gaps and binding energies. |
| Full Text: | View full text in PDF format (201KB) |
| TOC: | Back to Table of Contents |
|
|
