6533b871fe1ef96bd12d0dd7

RESEARCH PRODUCT

Density-Functional Calculations of Auger and X-Ray Photoemission Shifts for Metallic Elements

Risto M. NieminenRisto M. NieminenMartti J. Puska

subject

X ray photoemissionMaterials scienceBinding energyRelaxation (NMR)Condensed Matter PhysicsAtomic and Molecular Physics and OpticsAugerMetalvisual_artPhysics::Atomic and Molecular Clustersvisual_art.visual_art_mediumCore levelPhysics::Atomic PhysicsAtomic physicsMathematical Physics

description

ΔSCF density-functional calculations are reported for Auger, and core level binding energy shifts in sp-bonded metals. The basic model, atom-in-jellium-vacancy, gives good agreement with experiment, especially in the Auger case. The chemical and relaxation contributions to the shifts are discussed. The shifts are calculated also by using the thermochemical model and the results obtained are in agreement with experimental data. The applicability of the "excited-atom" approach to the Auger energy shifts is found restricted.

https://doi.org/10.1088/0031-8949/25/6a/014