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First-principles study on MRh12(M = Rh, Fe, Co, AND Ni) clusters

✍ Scribed by X. Kuang; X. Wang; G. Liu

Book ID
110170598
Publisher
SP MAIK Nauka/Interperiodica
Year
2011
Tongue
English
Weight
180 KB
Volume
52
Category
Article
ISSN
0022-4766

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✍ Yefei Li; Yimin Gao; Zijian Fan; Bing Xiao; Qingwen Yue; Ting Min; Shengqiang Ma πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 662 KB

The ground state properties of eta M 3 W 3 C (M =Fe, Co, Ni) compounds are discussed in this paper. The characteristics of chemical bonding and full set of elastic constants were calculated by first-principles calculations. The calculated formation enthalpy values indicate that they are thermodynami