Electronic Structure of Mg2Ni1-xCux |
| A. Jezierski a, M. Jurczyk b and A. Szajek a
a Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland b Institute of Material Science and Engineering, Poznań University of Technology, pl. M. Skłodowskiej Curie 5, 60-965 Poznań, Poland |
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| Nanocrystalline Mg2Ni doped alloys are good materials for hydrogen storage. In this work we present the influence of the chemical disorder on the electronic structure of Mg2Ni1-xCux alloys for 0 < x < 0.2. The electronic structure was calculated by ab initio full potential scalar relativistic local-orbital method in the coherent potential approximation. We observe the change of the density of states near the Fermi energy. |
| DOI: 10.12693/APhysPolA.115.223 PACS numbers: 71.15.Mb, 71.20.Be |