| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5388843 | Chemical Physics Letters | 2007 | 5 Pages |
Abstract
Density functional theory calculations identify the Fe4C structure with octahedral interstitial carbon (Fe4C/oct) to be more stable than that with tetrahedral interstitial carbon (Fe4C/tet). The most stable termination of Fe4C/oct is the (1Â 0Â 0) surface with interstitial carbon and iron, and that of Fe4C/tet is the (1Â 1Â 0) reconstructed surface with surface iron and carbon.
Related Topics
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Authors
Chun-Mei Deng, Chun-Fang Huo, Li-Li Bao, Xue-Rong Shi, Yong-Wang Li, Jianguo Wang, Haijun Jiao,