19 research outputs found
An ab initio study of 3s core-level x-ray photoemission spectra in transition metals
We calculate the - and -core-level x-ray photoemission spectroscopy
(XPS) spectra in the ferromagnetic and nonmagnetic transition metals by
developing an \emph{ab initio} method. We obtain the spectra exhibiting the
characteristic shapes as a function of binding energy in good agreement with
experimental observations. The spectral shapes are strikingly different between
the majority spin channel and the minority spin channel for ferromagnetic
metals Ni, Co, and Fe, that is, large intensities appear in the higher binding
energy side of the main peak (satellite) in the majority spin channel. Such
satellite or shoulder intensities are also obtained for nonmagnetic metals V
and Ru. These behaviors are elucidated in terms of the change of the
one-electron states induced by the core-hole potential.Comment: 11 pages, 12 figures, to appear in Phys. Rev.