6533b86ffe1ef96bd12ce7c1

RESEARCH PRODUCT

Embedded-atom calculations of Auger and x-ray photoemission shifts for metallic elements

Martti J. PuskaRisto M. Nieminen

subject

embedded-atom calculationsX ray photoemissionMaterials sciencePhysicsInverse photoemission spectroscopyAngle-resolved photoemission spectroscopyAugerMetalvisual_artAtomPhysics::Atomic and Molecular Clustersvisual_art.visual_art_mediumPhysics::Atomic PhysicsAtomic physicssp-bonded metals

description

Change in self-consistent-field energy 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, and the extra-atomic response is analyzed in detail, both in position and energy space. The adequacy of the "excited-atom" approach to the energy shifts is discussed. Peer reviewed

https://doi.org/10.1103/physrevb.25.67