Electronic Structure of Mg_2Ni_{1-x}Cu_{x}

• Authors: A. Jezierski , M. Jurczyk , A. Szajek
• Languages of publication: EN

Abstracts

EN

Nanocrystalline Mg_{2}Ni doped alloys are good materials for hydrogen storage. In this work we present the influence of the chemical disorder on the electronic structure of Mg_{2}Ni_{1-x}Cu_{x} 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.

Keywords

EN

71.15.Mb; 71.20.Be

Discipline

• 71.20.Be: Transition metals and alloys
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2009
• Volume: 115
• Issue: 1
• Pages: 223-225

Dates

published

2009-01

Contributors

author

A. Jezierski

• Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland

author

M. Jurczyk

• Institute of Material Science and Engineering, Poznań University of Technology, pl. M. Skłodowskiej Curie 5, 60-965 Poznań, Poland

author

A. Szajek

• Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland

References

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Identifiers

DOI

10.12693/APhysPolA.115.223