Alloying Effect on the Electronic Structure of Ni_3Al(γ')

概要

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The influence of a number of alloying transition elements on the electronicstructure of Ni.A1 (7') has been studied by the DV-Xa cluster method. The dorbital levels of the alloying elements appear above the Fermi level, and thesechange monotonously with atomic number, electronegativity and metallic radiusof the element. These level structures associated with d electrons characterizethe alloying elements as whether they are elements partitioning to 7 phase, to 7'phase or to grainboundary. The substitution of alloying elements for either Nior Al site was also discussed in terms of electronic structure. Further, the ionicityof each element, and the bond order between elements in y' phase have beencalculated, which provide basic informations for understan5ling bond nature inthe alloy. These informations were found to be useful for developing better nickelbase superalloys with a high performance at elevated temperatures.
社団法人日本物理学会の論文
1984-02-15