Reconstructed (1 1 0) surfaces of FCC transition metals |
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| Authors: | Jian-Min Zhang Hong-Yan Li |
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| Institution: | a College of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062, Shaanxi, PR China
b State-Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049, PR China |
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| Abstract: | The energies of the ideal, missing row (MR) and missing column (MC) (1 1 0) surfaces have been calculated by using modified embedded atom method (MEAM) for seven face centered cubic (FCC) transition metals Au, Pt, Ag, Pd, Rh, Cu and Ni. The results, that the MC reconstruction can not be formed for all metals, while the MR reconstruction can be formed naturally for Au and Pt, inductively for Ag, Pd, Rh and Cu and difficultly for Ni, are better than EAM calculated results in comparing with experimental results. In addition to the surface energy explanation, the results are also related to the surface topography and valence electron structure. |
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| Keywords: | A Metals A Surfaces D Electronic structure D Microstructure |
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