| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394992 | Computational and Theoretical Chemistry | 2011 | 5 Pages |
Abstract
⺠TinP (n = 1-12) clusters were investigated by DFT calculations. ⺠The P-encapsulating Tin cage clusters are found in Ti10P, Ti11P, and Ti12P. ⺠Ti6P and Ti12P clusters have special stability. ⺠The total magnetic moments of TinP clusters exhibited odd-even staggering behavior. ⺠Density of states of cluster was discussed to explore origin of magnetic property.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Hualan Wang, Na Hu, Duan-Jian Tao, Zhang-Hui Lu, Jing Nie, Xiang-Shu Chen,