Overlayer and superlattice studies of metal/ceramic interfaces: Fe/TiC

Tatsuya Shishidou; Joo Hyoung Lee; Yu Jun Zhao; Arthur J. Freeman; Gregory B. Olson

doi:10.1063/1.1556151

Overlayer and superlattice studies of metal/ceramic interfaces: Fe/TiC

Tatsuya Shishidou^*, Joo Hyoung Lee, Yu Jun Zhao, Arthur J. Freeman, Gregory B. Olson

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

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)
Pages (from-to)	6876-6878
Number of pages	3
Journal	Journal of Applied Physics
Volume	93
Issue number	10 2
DOIs	https://doi.org/10.1063/1.1556151
State	Published - May 15 2003

ASJC Scopus subject areas

Physics and Astronomy(all)

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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.",

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AU - Shishidou, Tatsuya

AU - Lee, Joo Hyoung

AU - Zhao, Yu Jun

AU - Freeman, Arthur J.

AU - Olson, Gregory B.

PY - 2003/5/15

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AB - 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.

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