Electronic structure and magnetic properties of selected compounds in the DyNi_5−xAl_x system

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• 作者：Miletic ; G.I. ; Blazina ; Z.
• 关键词：75.20.Hr ; 71.20.Be ; Electronic structure ; Magnetic moments ; Intermetallic compounds
• 刊名：Journal of Magnetism and Magnetic Materials
• 出版年：2004
• 出版时间：January, 2004
• 年：2004
• 卷：268
• 期：1-2
• 页码：205-211
• 全文大小：180 K

文摘

Results of electronic structure calculations of selected compounds in the DyNi_5−xAl_x system are reported and discussed. The tight-binding version of linear muffin-tin orbital method within the atomic sphere approximation was employed. Calculations were performed for DyNi₅, DyNi₄Al and DyNi₃Al₂ which crystallize with the CaCu₅ type of structure and for models of compounds DyNi_4.5Al_0.5 and DyNi_4.67Al_0.33. The influence of aluminium on nickel magnetic moments was investigated. It was found that at higher concentrations of aluminium (x=1,2) nickel moments decrease rapidly, while in the compounds with x=0.5,0.33 nickel moments are strongly dependent on the position of aluminium atoms. In all compounds coupling between dysprosium and nickel moments is ferrimagnetic the only exception being DyNi₃Al₂.