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• W1969317151 abstract "In this paper, we present the results of ab-initio band structure calculations based on the local approximation of the density functional theory for several hydrogen absorbing AB5 compounds YNi5, LaNi5, LaCu5, and some substituted compounds such as LaNi4.5Al0.5, LaNi4 Al, LaNi4 Cu, LaNi4.5Si0.5, LaNi4.5Ge0.5, and LaNi4.5Sn0.5. The calculated bulk moduli obtained by total energy minimizations are in satisfactory agreement with available experimental data. These results are used, in conjunction with electronic features such as band filling and Fermi energy characteristics, to discuss the relationship between compressibilities, electronic structure and H-absorption properties in Haucke compounds." @default.
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• W1969317151 date "2005-12-01" @default.
• W1969317151 modified "2023-10-18" @default.
• W1969317151 title "Relationship between compressibility and hydrogen absorption in some Haucke compounds" @default.
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• W1969317151 doi "https://doi.org/10.1016/j.jallcom.2004.09.079" @default.
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