scholarly journals 4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides

2015 ◽  
Vol 37 (9) ◽  
pp. 825-835 ◽  
Author(s):  
Bolong Huang
Keyword(s):  
Fine Structure ◽  
Electronic Structures ◽  
Lanthanide Oxides

Electronic Structures of Crystalline and Aqueous Solutions of LiBr, NaBr, KBr, and KBrO3:  In Situ Br L-Edge Near-edge X-ray Absorption Fine Structure

2003 ◽  
Vol 107 (46) ◽  
pp. 12562-12565 ◽  
Author(s):  
Shuji Matsuo ◽  
Ponnusamy Nachimuthu ◽  
Dennis W. Lindle ◽  
Hisanobu Wakita ◽  
Rupert C. C. Perera
Keyword(s):  
Fine Structure ◽  
Aqueous Solutions ◽  
Electronic Structures ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

Society Photoemission and Photoabsorption Study of YNi2−xCoxB2C Superconductors

2001 ◽  
Vol 678 ◽  
Author(s):  
L.-S. Hsu ◽  
G. Y. Guo ◽  
C.-J. Chen ◽  
M.-D. Lan ◽  
J.-F. Lee
Keyword(s):  
Fine Structure ◽  
Electronic Structures ◽  
Theoretical Calculations ◽  
Structural Parameters ◽  
Photoemission Spectrum ◽  
Partial Density ◽  
Superconducting Transition ◽  
X Ray ◽  
X Ray Absorption ◽  
Exafs Spectra

AbstractThe electronic structures of five polycrystalline YNi2−xCoxB2C (x=0, 0.05, 0.1, 0.15, and 0.2) borocarbide superconductors were studied by photoemission and photoabsorption spectroscopies and theoretical calculations. The valence-band (VB) photoemission spectrum is compared with the theoretical total and partial density-of-states (DOS) curves. The VB satellite is peaked at a binding energy (EB) of 6 eV. The Ni K-edge x-ray absorption near edge spectra (XANES) are compared with the calculated XANES spectra for these intermetallic compounds. Extended x-ray absorption fine structure (EXAFS) spectra at the Ni and Co K edges are analyzed to yield the structural parameters. The decrease of the superconducting transition temperatures (Tc) with addition of Co dopant in these compounds is due to a decrease of the total DOS at the Fermi level (EF).

scholarly journals Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules

2019 ◽  
Vol 52 (11) ◽  
pp. 3265-3273 ◽  
Author(s):  
Jarrett L. Mason ◽  
Hassan Harb ◽  
Josey E. Topolski ◽  
Hrant P. Hratchian ◽  
Caroline Chick Jarrold
Keyword(s):  
Small Molecules ◽  
Electronic Structures ◽  
Lanthanide Oxides

Study of MgXZn1-XO Alloys (0

2013 ◽  
Vol 663 ◽  
pp. 361-365 ◽  
Author(s):  
Wei Zheng ◽  
Zhe Chuan Feng ◽  
Fan Hsiu Chang ◽  
Jyh Fu Lee ◽  
Rui Sheng Zheng ◽  
...  
Keyword(s):  
Fine Structure ◽  
High Resolution ◽  
Detailed Analysis ◽  
Absorption Spectroscopy ◽  
Electronic Structures ◽  
Chemical Bonds ◽  
Absorption Data ◽  
Edge Structure ◽  
X Ray ◽  
X Ray Absorption

High-resolution K-edge x-ray absorption data are presented for Mg, Zn and O of Mg1-xZnxO films. A detailed analysis of the extended x-ray absorption fine structure by using the IFEFFIT program is given, and the Zn form chemical bonds with O are obtained. The x-ray absorption near-edge structure of Mg, Zn and O K-edge are investigated, and the electronic structures of Mg1-xZnxO with various compositions are studied.

Geometric and electronic structures of NO dimer layers on Rh(111) studied with near edge x-ray absorption fine structure spectroscopy: Experiment and theory

2007 ◽  
Vol 127 (2) ◽  
pp. 024701 ◽  
Author(s):  
Ikuyo Nakai ◽  
Hiroshi Kondoh ◽  
Toru Shimada ◽  
Reona Yokota ◽  
Tetsuo Katayama ◽  
...  
Keyword(s):  
Fine Structure ◽  
Electronic Structures ◽  
X Ray ◽  
Absorption Fine ◽  
Spectroscopy Experiment ◽  
X Ray Absorption

Determination of Bond Lengths and Electronic Structure of Cd1-xZnxTe Ternary Alloys by Synchrotron Radiation

2013 ◽  
Vol 706-708 ◽  
pp. 56-59 ◽  
Author(s):  
Wei Zheng ◽  
Yu Li Wu ◽  
Yen Ting Chen ◽  
Zhe Chuan Feng ◽  
Jyh Fu Lee ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Fine Structure ◽  
Synchrotron Radiation ◽  
Electronic Structures ◽  
Ternary Alloys ◽  
Chemical Bonds ◽  
Edge Structure ◽  
X Ray ◽  
X Ray Absorption

High-resolution synchrotron radiation x-ray absorption spectroscopy on Zn K-, Cd L3- and Te L3-edges for Cd1-xZnxTe ternary alloys with x = 0.10, 0.30, 0.50 and 0.90 are presented. A detailed analysis of the extended x-ray absorption fine structure using the IFEFFIT program, and the chemical bonds of Zn-Te are obtained, suggesting distortion of the Te sub-lattice. The x-ray absorption near-edge structure of the Zn K-, Cd L3- and Te L3-edge are investigated, and the electronic structures of Cd1-xZnxTe with various compositions are studied.

Experimental and theoretical study of the electronic structures of sulphuryl fluoride and perchloryl fluoride

1972 ◽  
Vol 328 (1574) ◽  
pp. 401-411 ◽  
Keyword(s):  
Fine Structure ◽  
High Resolution ◽  
Ab Initio ◽  
Excellent Agreement ◽  
Electronic Structures ◽  
Theoretical Study ◽  
Central Atom ◽  
Photoelectron Spectra ◽  
Vertical Ionization Potentials ◽  
Perchloryl Fluoride

High resolution photoelectron spectra, obtained with He I (58.4 nm), He II (30.4 nm) and Ne I (73.6 nm) resonance radiation, are reported for SO 2 F2 and ClO 3 F. Vertical ionization potentials (i.p.), and in many cases estimates of adiabatic i.p. also, are tabulated for both of the compounds. Ab initio s.c.f.m.o. calculations of the electronic structures are also presented. The calculations indicate considerable participation by 3d orbitals of the central atom in both molecules, and some support for this may be drawn from the excellent agreement of eigenvalues with the measured i.p. In both molecules detailed vibrational fine structure is observed, and this may be correlated well with the calculated bonding character.

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