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Consequences of realistic embedding for the L 2,3 edge XAS of α-Fe 2 O 3

Journal Article · · Physical Chemistry Chemical Physics. PCCP (Print)
DOI:https://doi.org/10.1039/c7cp06926j· OSTI ID:1422269
 [1];  [2];  [3];  [3];  [3]
  1. Department of Chemistry; University of North Texas; Denton; USA
  2. Consultant; Austin; USA
  3. Pacific Northwest National Laboratory; Richland; USA
+ Show Author Affiliations

Cluster models of condensed systems are often used to simulate the core-level spectra obtained with X-ray Photoelectron Spectroscopy, XPS, or with X-ray Absorption Spectroscopy, XAS, especially for near edge features.

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1422269
Report Number(s):
PNNL-SA-131666; PPCPFQ; 47824; KC0302060
Journal Information:
Physical Chemistry Chemical Physics. PCCP (Print), Vol. 20, Issue 6; ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

References (35)

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Nonlocal screening effects in 2 p x-ray photoemission spectroscopy core-level line shapes of transition metal compounds April 1993

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