6533b838fe1ef96bd12a4469

RESEARCH PRODUCT

3d impurities in Al: density functional results

Risto M. NieminenMartti J. Puska

subject

Materials sciencePhysics and Astronomy (miscellaneous)Condensed matter physicsMetals and AlloysGeneral Engineeringchemistry.chemical_elementFermi energyCondensed Matter::Materials ScienceTransition metalX-ray photoelectron spectroscopychemistryAluminiumImpurityCondensed Matter::Strongly Correlated ElectronsSpin density

description

Self-consistent spin density functional calculations have been carried out for 3d transition metal impurities in aluminium. The width of the virtual level decreases as it moves away from the Fermi energy with increasing occupancy. The results are compared with recent XPS measurements.

https://doi.org/10.1088/0305-4608/10/5/001