| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382493 | Chemical Physics Letters | 2013 | 6 Pages |
Abstract
⺠Surface chemisorption and cage formation for Fe12O12 clusters is considered. ⺠Computations are performed using all-electron density functional theory. ⺠The range of spin multiplicity in these computations is from 1 to 45. ⺠The ferrimagnetic states are lower in total energy then the ferromagnetic states. ⺠The ground triplet state possesses a surface chemisorption geometry.
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Physical and Theoretical Chemistry
Authors
G.L. Gutsev, C.A. Weatherford, P. Jena, E. Johnson, B.R. Ramachandran,