| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9595135 | Surface Science | 2005 | 7 Pages |
Abstract
Electronic and magnetic properties of bulk and films of FeGe2 are investigated within ab initio density functional theory. Bulk structure displays an anti-ferromagnetic ground state with Fe magnetic moment of 1.36μB and a ferromagnetic configuration a few mRy above. Thin films with a few monolayers display a ferromagnetic ground state with a metastable anti-ferromagnetic configuration a few mRy above. A transition from ferromagnetism to anti-ferromagnetism is observed when the thickness of the film is increased. A strong increase of the magnetic moments, up to 2.64μB, on Fe atoms present at the surface is observed.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
A. Siad, A. Mokrani, C. Demangeat,