The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges
E Stavitski, FMF De Groot - Micron, 2010 - Elsevier
The CTM4XAS program for the analysis of transition metal L edge Electron Energy Loss
Spectroscopy (EELS) or X-ray Absorption Spectra (XAS) is explained. The physical …
Spectroscopy (EELS) or X-ray Absorption Spectra (XAS) is explained. The physical …
Theory of core-level spectroscopy of rare-earth oxides
A Kotani, H Ogasawara - Journal of electron spectroscopy and related …, 1992 - Elsevier
A review is presented of the recent development in theoretical studies of X-ray
photoemission spectra (XPS) and X-ray absorption spectra (XAS) for rare-earth …
photoemission spectra (XPS) and X-ray absorption spectra (XAS) for rare-earth …
[图书][B] Core level spectroscopy of solids
F De Groot, A Kotani - 2008 - taylorfrancis.com
Core level spectroscopy has become a powerful tool in the study of electronic states in
solids. From fundamental aspects to the most recent developments, Core Level …
solids. From fundamental aspects to the most recent developments, Core Level …
5f Covalency Synergistically Boosting Oxygen Evolution of UCoO4 Catalyst
Electronic structure modulation among multiple metal sites is key to the design of efficient
catalysts. Most studies have focused on regulating 3d transition-metal active ions through …
catalysts. Most studies have focused on regulating 3d transition-metal active ions through …
Unusual electronic structure of
R Fehrenbacher, TM Rice - Physical review letters, 1993 - APS
A model for the electronic structure of PrBa 2 Cu 3 O 7 is proposed with three independent
components: insulating CuO 2 planes with oxidation state Cu II, mixed valent Pr ions with …
components: insulating CuO 2 planes with oxidation state Cu II, mixed valent Pr ions with …
Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional
The predicted structures and electronic properties of Ce O 2 and Ce 2 O 3 have been
studied using conventional and hybrid density functional theory. The lattice constant and …
studied using conventional and hybrid density functional theory. The lattice constant and …
Praseodymium 3d- and 4d-core photoemission spectra of
H Ogasawara, A Kotani, R Potze, GA Sawatzky… - Physical Review B, 1991 - APS
Experimental data and theoretical calculations are shown for Pr 3d and 4d x-ray
photoemission spectra (XPS) of Pr 2 O 3. The observed spectral structures are well …
photoemission spectra (XPS) of Pr 2 O 3. The observed spectral structures are well …
First-principles study of rare-earth oxides
L Petit, A Svane, Z Szotek, WM Temmerman - Physical Review B—Condensed …, 2005 - APS
The self-interaction-corrected local-spin-density (SIC-LSD) approximation is used to
describe the electronic structure of dioxides REO 2 and sesquioxides RE 2 O 3 for the rare …
describe the electronic structure of dioxides REO 2 and sesquioxides RE 2 O 3 for the rare …
First-principles investigation on redox properties of -doped
Y Tang, H Zhang, L Cui, C Ouyang, S Shi, W Tang… - Physical Review B …, 2010 - APS
The effects of M (M= Mn, Pr, Sn, Zr) doping on the redox thermodynamics of CeO 2 have
been investigated using first-principles density-functional theory calculations with the on-site …
been investigated using first-principles density-functional theory calculations with the on-site …
[HTML][HTML] Strengths of covalent bonds in LnO 2 determined from O K-edge XANES spectra using a Hubbard model
WW Lukens, SG Minasian, CH Booth - Chemical Science, 2023 - pubs.rsc.org
In LnO2 (Ln= Ce, Pr, and Tb), the amount of Ln 4f mixing with O 2p orbitals was determined
by O K-edge X-ray absorption near edge (XANES) spectroscopy and was similar to the …
by O K-edge X-ray absorption near edge (XANES) spectroscopy and was similar to the …