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A Calculation of the Electronic Structure of an Impurity Atom of Non-Transition Element in Nickel
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1971
Year
EngineeringNon-transition ElementElectronic StructureMagnetoresistanceMagnetismQuantum MaterialsDeep Impurity PotentialMaterials ScienceHost NiSaturation MagnetizationPhysicsIntrinsic ImpurityAtomic PhysicsQuantum ChemistrySolid-state PhysicAb-initio MethodQuantum MagnetismTransition Metal ChalcogenidesSpintronicsFerromagnetismNatural SciencesApplied PhysicsCondensed Matter PhysicsImpurity AtomAlloy Phase
(Received April 6, 1971) The basic mechanism in the rapid decrease of the saturation magnetization of Ni-base dilute alloys with increasing concentration of non-transition elements is elucidated by carrying out an ab initio calculation with the use of the pseudo-Greenian method which was developed previously for the general use in the calculation of electronic structure of metals and alloys. It is the essential point of the mechanism that the number of s and p symmetry states be low the Fermi level does not change very much even in the presence of a deep impurity potential because of the interference between the d band and the OPW state of host Ni. A useful expression of the Greenian of pure Ni which is needed in the calculation is derived also by use of the pseudo-Greenian method.