Electronic structure and local environment of substitutional V3+ in grossular garnet Ca3Al2(SiO4)3: K-edge X-ray absorption spectroscopy and first-principles modeling

2010 ◽  
Vol 95 (8-9) ◽  
pp. 1161-1171 ◽  
Author(s):  
A. Bordage ◽  
C. Brouder ◽  
E. Balan ◽  
D. Cabaret ◽  
A. Juhin ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
First Principles ◽  
Local Environment ◽  
X Ray ◽  
Grossular Garnet ◽  
X Ray Absorption

Study of electronic structure in the L-edge spectroscopy of actinide materials: UO2 as an example

2019 ◽  
Vol 21 (15) ◽  
pp. 7789-7801 ◽  
Author(s):  
Harry Ramanantoanina ◽  
Goutam Kuri ◽  
Matthias Martin ◽  
Johannes Bertsch
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Uranium Dioxide ◽  
Atomic Structure ◽  
First Principles ◽  
Spent Fuel ◽  
X Ray ◽  
X Ray Absorption

Combined L3-edge X-ray absorption spectroscopy and first-principles modelling reveal electronic and atomic structure in uranium dioxide spent fuel.

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

Electronic structure and magnetic states inLa1−xSrxCoO3studied by photoemission and x-ray-absorption spectroscopy

1997 ◽  
Vol 56 (3) ◽  
pp. 1290-1295 ◽  
Author(s):  
T. Saitoh ◽  
T. Mizokawa ◽  
A. Fujimori ◽  
M. Abbate ◽  
Y. Takeda ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
Magnetic States ◽  
X Ray Absorption

Titanium environment in TiO2–BaO–ZnO–B2O3 glasses by x-ray absorption spectroscopy

2000 ◽  
Vol 15 (3) ◽  
pp. 793-797 ◽  
Author(s):  
N. Watanabe ◽  
A. Y. Ramos ◽  
M. C. M. Alves ◽  
H. Tolentino ◽  
O. L. Alves ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Local Environment ◽  
Titanium Content ◽  
Optical Performance ◽  
X Ray ◽  
X Ray Absorption

The local environment of titanium in glasses of the system TiO2–BaO–ZnO–B2O3 was studied by x-ray absorption spectroscopy. In all glasses, for TiO2 content varying from 35 to 49 mol%, the titanium atoms are mainly fourfold coordinated network formers. For the glass with the highest titanium content, about 20% of the titanium enters into a sixfold environment, indicating the presence of precrystalline nuclei. These nuclei are responsible for the decrease of the optical performance of the glass above threshold titanium content, prior to any observable crystallization.

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