Discrepancies and Exceptionality

Ashcroft, Samuel C.

doi:10.1037/007279

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1991

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“…The electronic structure of pure aluminium has been calculated by many authors (Segall 1961, Singhal and Callaway 1977, Callaway and Laurent 1981, Szmulowicz and Segall l980,1981.TheFermisurfaceofaluminiumisexplained by a nearly-free-electron band structure (Ashcroft 1963, Ashcroft andMermin 1976). Several experiments (e.g.…”

Section: Introductionmentioning

confidence: 99%

Alloying effect on the electronic structure of aluminium

Moringa

Nasu

Adachi

et al. 1991

J. Phys.: Condens. Matter

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The influence of a number of alloying elements on the electronic structure of aluminium has been investigated by the DV-X, cluster method. The energy level structure was modified remarkably by alloying. For transition metals, for instance. this modification was mainly due to the appearance of the virtual bound state of d electrons near the Fermi energy level. Except for a few elements, the ionicities of alloying elements change monotonically following the electronegativity. The bond order between atoms largely depends on the alloying elements, while the activation energy for the 3d impurity diffusion in aluminium can be related to the calculated bond order. An increment of the residual resistivity, due to the 3d impurities doped into aluminium, also correlata well with the virtual bound stale densityat the Fermienergylevel. Inaddition, it isshown fromcalculations that Mn and Cr are probably the magnetic impurities in aluminium.

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Section: Introductionmentioning

confidence: 99%