Abstract
The first-principles calculations using the full-potential linearized augmented plane wave method was used to study the adhesion and magnetism at the Fe(001)/TiC(001) interface. It was found that the interfacial Fe and C atoms could form strong covalent bonding, making the interface structure with Fe sitting on top of C as the most stable structure for both superlattices and overlayers. The first layer of Fe at the interface showed a reduced magnetic moment(-20%), due to the strong bonding, while the second layer almost recovered its bulk value.
Original language | English (US) |
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Pages (from-to) | 6876-6878 |
Number of pages | 3 |
Journal | Journal of Applied Physics |
Volume | 93 |
Issue number | 10 2 |
DOIs | |
State | Published - May 15 2003 |
ASJC Scopus subject areas
- Physics and Astronomy(all)