A new near degeneracy effect for photoemission in transition metals

A previously neglected intra-atomic many-body effect has important consequences for the X-ray photoelectron spectra (XPS) of transition metal atoms and cations. This effect involves configurations where one elctron is promoted to a 4f orbital and another is dropped to fill the XPS hole; this can be...

Full description

Saved in:
Bibliographic Details
Published inChemical physics letters Vol. 394; no. 1; pp. 150 - 154
Main Authors Bagus, Paul S., Broer, R., Ilton, Eugene S.
Format Journal Article
LanguageEnglish
Published United States Elsevier B.V 11.08.2004
Subjects
ab initio theory
BINDING ENERGY
environmental molecular sciences laboratory
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
MANGANESE
MANY-BODY PROBLEM
MULTIPLETS
PHOTOEMISSION
TRANSITION ELEMENTS
transition metals
X-RAY PHOTOELECTRON SPECTROSCOPY
XPS
Online AccessGet full text

Cover

More Information
Summary:A previously neglected intra-atomic many-body effect has important consequences for the X-ray photoelectron spectra (XPS) of transition metal atoms and cations. This effect involves configurations where one elctron is promoted to a 4f orbital and another is dropped to fill the XPS hole; this can be viewed as a frustrated Auger configuration (FAC). The identification of this FAC is a major advance in the understanding of many-body effects in XPS. Its use affects the multiplet splitting and the absolute binding energy; it can also lead to new satellite structure. Furthermore, it is expected to be generally important.
Bibliography:USDOE
AC05-76RL01830
PNNL-SA-39923
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2004.06.120