| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383286 | Chemical Physics Letters | 2012 | 7 Pages |
Abstract
⺠The most stable structure of Fe and Mn on BN sheet is different using LSDA and GGA. ⺠Charge transfer from 4s states into 3d states determines the magnetic moment of TM. ⺠Spin polarization except for Ni adsorbed systems reaches 100% at Fermi level or HOMO.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jie Li, M.L. Hu, Zhizhou Yu, J.X. Zhong, L.Z. Sun,