| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1501694 | Scripta Materialia | 2009 | 4 Pages |
Abstract
The structural, electronic and elastic properties of orthorhombic and hexagonal Mo2C were investigated using first principles with a pseudopotential plane-wave method. The results for the formation enthalpy of these compounds indicate that Ortho-Mo2C can form more easily than Hexa-Mo2C. The calculated electronic structure indicates that the bonds of Mo2C have both covalent and metallic properties. The stability of multicomponent carbides (Mo,M)2C (M = Cr, Nb) in both orthorhombic and hexagonal form was also investigated.
Related Topics
Physical Sciences and Engineering
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Authors
Hailiang Liu, Jingchuan Zhu, Zhonghong Lai, Rongda Zhao, Dong He,