Analysis of the Fe 2p XPS for hematite α Fe 2 O 3 : Consequences of covalent bonding and orbital splittings on multiplet splittings
- Authors:
-
- Department of Chemistry, University of North Texas, Denton, Texas 76203-5017, USA
- Consultant, Austin, Texas 78730, USA
- C. R. Brundle and Associates, Soquel, California 95073, USA
- Pacific Northwest National Laboratory, Richland, Washington 99352, USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1580784
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 1; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Bagus, Paul S., Nelin, Connie J., Brundle, C. R., Lahiri, N., Ilton, Eugene S., and Rosso, Kevin M. Analysis of the Fe 2p XPS for hematite α Fe 2 O 3 : Consequences of covalent bonding and orbital splittings on multiplet splittings. United States: N. p., 2020.
Web. doi:10.1063/1.5135595.
Bagus, Paul S., Nelin, Connie J., Brundle, C. R., Lahiri, N., Ilton, Eugene S., & Rosso, Kevin M. Analysis of the Fe 2p XPS for hematite α Fe 2 O 3 : Consequences of covalent bonding and orbital splittings on multiplet splittings. United States. https://doi.org/10.1063/1.5135595
Bagus, Paul S., Nelin, Connie J., Brundle, C. R., Lahiri, N., Ilton, Eugene S., and Rosso, Kevin M. Tue .
"Analysis of the Fe 2p XPS for hematite α Fe 2 O 3 : Consequences of covalent bonding and orbital splittings on multiplet splittings". United States. https://doi.org/10.1063/1.5135595.
@article{osti_1580784,
title = {Analysis of the Fe 2p XPS for hematite α Fe 2 O 3 : Consequences of covalent bonding and orbital splittings on multiplet splittings},
author = {Bagus, Paul S. and Nelin, Connie J. and Brundle, C. R. and Lahiri, N. and Ilton, Eugene S. and Rosso, Kevin M.},
abstractNote = {},
doi = {10.1063/1.5135595},
journal = {Journal of Chemical Physics},
number = 1,
volume = 152,
place = {United States},
year = {2020},
month = {1}
}
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https://doi.org/10.1063/1.5135595
https://doi.org/10.1063/1.5135595
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Cited by: 4 works
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Works referenced in this record:
The nature of the bonding of CN to metals and organic molecules
journal, August 1987
- Nelin, C. J.; Bagus, P. S.; Philpott, M. R.
- The Journal of Chemical Physics, Vol. 87, Issue 4
XPS primary excitation spectra of Zn 2 p , Fe 2 p , and Ce 3 d from ZnO, α-Fe 2 O 3 , and CeO 2
journal, November 2018
- Pauly, Nicolas; Yubero, Francisco; Espinós, Juan Pedro
- Surface and Interface Analysis, Vol. 51, Issue 3
A new analysis of X-ray adsorption branching ratios: Use of Russell–Saunders coupling
journal, April 2008
- Bagus, Paul S.; Freund, Hajo; Kuhlenbeck, Helmut
- Chemical Physics Letters, Vol. 455, Issue 4-6
Surface-sensitive Fe photoemission spectra for α- The influence of symmetry and crystal-field strength
journal, November 2001
- Droubay, T.; Chambers, S. A.
- Physical Review B, Vol. 64, Issue 20
Composition assessment of ferric oxide by accurate peak fitting of the Fe 2 p photoemission spectrum : Composition of ferric oxide by peak fitting the Fe 2
journal, August 2016
- Bravo Sanchez, M.; Huerta-Ruelas, J. A.; Cabrera-German, D.
- Surface and Interface Analysis, Vol. 49, Issue 4
First-Principles Fe L 2,3 -Edge and O K-Edge XANES and XMCD Spectra for Iron Oxides
journal, October 2017
- Sassi, Michel; Pearce, Carolyn I.; Bagus, Paul S.
- The Journal of Physical Chemistry A, Vol. 121, Issue 40
Covalent bonding in heavy metal oxides
journal, April 2017
- Bagus, Paul S.; Nelin, Connie J.; Hrovat, Dave A.
- The Journal of Chemical Physics, Vol. 146, Issue 13
Analysis of the Broadening of X-ray Photoelectron Spectroscopy Peaks for Ionic Crystals
journal, June 2011
- Nelin, Connie J.; Bagus, Paul S.; Brown, Matthew A.
- Angewandte Chemie International Edition, Vol. 50, Issue 43
Covalent interactions in oxides
journal, June 2014
- Bagus, Paul S.; Nelin, Connie J.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 194
Relativistic Hamiltonians for Chemistry: A Primer
journal, November 2011
- Saue, Trond
- ChemPhysChem, Vol. 12, Issue 17
Extracting Chemical Information from XPS Spectra: A Perspective
journal, May 2018
- Bagus, Paul S.; Ilton, Eugene; Nelin, Connie J.
- Catalysis Letters, Vol. 148, Issue 7
An XPS study of intensity borrowing in core ionization of free and coordinated CO
journal, November 1981
- Freund, H. J.; Plummer, E. W.; Salaneck, W. R.
- The Journal of Chemical Physics, Vol. 75, Issue 9
Analysis of X-ray adsorption edges: L 2,3 edge of FeCl 4 −
journal, December 2017
- Bagus, Paul S.; Nelin, Connie J.; Ilton, Eugene S.
- The Journal of Chemical Physics, Vol. 147, Issue 22
The core electron binding energies of oxygen difluoride
journal, January 1976
- Koepke, J. W.; Jolly, W. L.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 9, Issue 4
Investigation of the phonon broadening of core levels in NaCl
journal, March 1977
- Iwan, M.; Kunz, C.
- Physics Letters A, Vol. 60, Issue 4
Quantifying small changes in uranium oxidation states using XPS of a shallow core level
journal, January 2017
- Ilton, Eugene S.; Du, Yingge; Stubbs, Joanne E.
- Physical Chemistry Chemical Physics, Vol. 19, Issue 45
Calculation of multiplet structure of core -vacancy levels. II
journal, July 1975
- Gupta, R. P.; Sen, S. K.
- Physical Review B, Vol. 12, Issue 1
A new series for approximating Voigt functions
journal, October 1994
- Gubner, J. A.
- Journal of Physics A: Mathematical and General, Vol. 27, Issue 19
A New Mechanism For XPS Line Broadening: The 2p-XPS of Ti(IV)
journal, July 2018
- Bagus, Paul S.; Nelin, Connie J.; Brundle, C. R.
- The Journal of Physical Chemistry C, Vol. 123, Issue 13
Spin–orbit coupling in actinide cations
journal, September 2012
- Bagus, Paul S.; Ilton, Eugene S.; Martin, Richard L.
- Chemical Physics Letters, Vol. 546
Anomalous multiplet-splitting intensity ratios in -level x-ray photoemission spectra of NO and
journal, March 1974
- Bagus, P. S.; Schrenk, M.; Davis, D. W.
- Physical Review A, Vol. 9, Issue 3
Widths of the Atomic k–n7 Levels
journal, January 2001
- Campbell, J. L.; Papp, Tibor
- Atomic Data and Nuclear Data Tables, Vol. 77, Issue 1
Koopmans' theorem for inner-shell ionization
journal, October 1970
- Manne, R.; Åberg, T.
- Chemical Physics Letters, Vol. 7, Issue 2
Formation of Mn 3 O 4 ( 001 ) on MnO(001): Surface and interface structural stability
journal, October 2007
- Bayer, Veronika; Podloucky, Raimund; Franchini, Cesare
- Physical Review B, Vol. 76, Issue 16
The interpretation of XPS spectra: Insights into materials properties
journal, June 2013
- Bagus, Paul S.; Ilton, Eugene S.; Nelin, Connie J.
- Surface Science Reports, Vol. 68, Issue 2
Cluster embedding of ionic systems: Point charges and extended ions
journal, July 2019
- Bagus, Paul S.; Sassi, Michel J.; Rosso, Kevin M.
- The Journal of Chemical Physics, Vol. 151, Issue 4
Energy dependence of the outer core-level multiplet structures in atomic Mn and Mn-containing compounds
journal, November 1993
- Hermsmeier, B. D.; Fadley, C. S.; Sinkovic, B.
- Physical Review B, Vol. 48, Issue 17
Phonon Broadening of X-Ray Photoemission Linewidths
journal, October 1974
- Citrin, P. H.; Eisenberger, P.; Hamann, D. R.
- Physical Review Letters, Vol. 33, Issue 16
Calculation of multiplet structure of core -vacancy levels
journal, July 1974
- Gupta, R. P.; Sen, S. K.
- Physical Review B, Vol. 10, Issue 1
Core and valence level photoemission studies of iron oxide surfaces and the oxidation of iron
journal, November 1977
- Brundle, C. R.; Chuang, T. J.; Wandelt, K.
- Surface Science, Vol. 68
Intermediate coupling for core-level excited states: Consequences for X-Ray absorption spectroscopy
journal, April 2015
- Bagus, Paul S.; Sassi, Michel J.; Rosso, Kevin M.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 200
Anomalous electron correlation due to near degeneracy effects: Low-lying ionic states of Ne and Ar
journal, April 2006
- Bagus, Paul S.; Broer, Ria; Parmigiani, Fulvio
- Chemical Physics Letters, Vol. 421, Issue 1-3
Effects of covalency on the -shell photoemission of transition metals:
journal, April 2006
- Bagus, Paul S.; Ilton, Eugene S.
- Physical Review B, Vol. 73, Issue 15
Atomic Many-Body Effects for the -Shell Photoelectron Spectra of Transition Metals
journal, March 2000
- Bagus, Paul S.; Broer, R.; de Jong, W. A.
- Physical Review Letters, Vol. 84, Issue 10
Self-Consistent Field, Including Exchange and Superposition of Configurations, with Some Results for Oxygen
journal, July 1939
- Hartree, D. R.; Hartree, W.; Swirles, B.
- Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 238, Issue 790
Relativistic quantum chemistry: the MOLFDIR program package
journal, June 1994
- Visscher, L.; Visser, O.; Aerts, P. J. C.
- Computer Physics Communications, Vol. 81, Issue 1-2
3p—3d intershell correlation effects in transition metal ions
journal, November 1993
- Kristine, Pierloot; Eftimios, Tsokos; Björn O., Roos
- Chemical Physics Letters, Vol. 214, Issue 6
On the rapid computation of matrix elements
journal, January 1968
- Prosser, Franklin; Hagstrom, Stanley
- International Journal of Quantum Chemistry, Vol. 2, Issue 1
Evaluation of uncertainties in X-ray photoelectron spectroscopy intensities associated with different methods and procedures for background subtraction. I. Spectra for monochromatic Al X-ray
journal, April 2009
- Powell, C. J.; Conny, J. M.
- Surface and Interface Analysis, Vol. 41, Issue 4
Consequences of realistic embedding for the L 2,3 edge XAS of α-Fe 2 O 3
journal, January 2018
- Bagus, Paul S.; Nelin, Connie J.; Sassi, Michel
- Physical Chemistry Chemical Physics, Vol. 20, Issue 6