Ferroelectric distortion inSrTiO3thin films onSi(001)by x-ray absorption fine structure spectroscopy: Experiment and first-principles calculations

2007 ◽  
Vol 75 (14) ◽  
Author(s):  
J. C. Woicik ◽  
E. L. Shirley ◽  
C. S. Hellberg ◽  
K. E. Andersen ◽  
S. Sambasivan ◽  
...  
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First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
Absorption Fine ◽  
Spectroscopy Experiment ◽  
X Ray Absorption

Local structure ofCuIn3Se5:X-ray absorption fine structure study and first-principles calculations

2003 ◽  
Vol 68 (5) ◽  
Author(s):  
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Su-Huai Wei ◽  
J. W. Johnson ◽  
S. B. Zhang ◽  
N. Leyarovska ◽  
...  
Keyword(s):  
Fine Structure ◽  
First Principles ◽  
Local Structure ◽  
Structure Study ◽  
First Principles Calculations ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

The structure of Mn-doped tris(8-hydroxyquinoline)gallium by extended x-ray absorption fine structure spectroscopy and first principles calculations

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pp. 113519 ◽  
Author(s):  
Shaojie Fang ◽  
Zhiyong Pang ◽  
Yonghua Du ◽  
Lirong Zheng ◽  
Xijian Zhang ◽  
...  
Keyword(s):  
Fine Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption ◽  
Mn Doped

Behavior of heptavalent technetium in concentrated triflic acid under alpha-irradiation: technetium-triflate complex characterized by X-ray absorption fine structure spectroscopy and DFT

2017 ◽  
Vol 105 (2) ◽  
Author(s):  
Ibtihel Denden ◽  
Jérôme Roques ◽  
Frederic Poineau ◽  
Pier Lorenzo Solari ◽  
Michel L. Schlegel ◽  
...  
Keyword(s):  
Fine Structure ◽  
First Principles ◽  
First Principles Calculations ◽  
Triflic Acid ◽  
X Ray ◽  
Xafs Spectroscopy ◽  
Absorption Fine ◽  
X Ray Absorption ◽  
Alpha Irradiation ◽  
Theoretical Results

AbstractThe nature of the Tc species produced after the alpha-irradiation of Tc(VII) in concentrated triflic acid has been investigated by X-ray absoprtion fine structure (XAFS) spectroscopy and first principles calculations. Experimental and theoretical results are consistent with the formation of Tc

scholarly journals First-Principles Study on the Near-Edge X-ray Absorption Fine Structure Spectroscopy of the Fullerene-Derivative PCBM

2015 ◽  
Vol 31 (8) ◽  
pp. 1483-1488
Author(s):  
Yong. MA ◽  
◽  
Guang-Wei. WANG ◽  
Shao-Tao. SUN ◽  
Xiu-Neng. SONG ◽  
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Keyword(s):  
Fine Structure ◽  
First Principles ◽  
Fullerene Derivative ◽  
X Ray ◽  
First Principles Study ◽  
Absorption Fine ◽  
X Ray Absorption

scholarly journals Understanding the effect of thionation on naphthalene diimide using first-principles predictions of near-edge x-ray absorption fine structure spectra

2019 ◽  
Vol 150 (10) ◽  
pp. 104302 ◽  
Author(s):  
Kira Rundel ◽  
Yufeng Liang ◽  
Adam Welford ◽  
David Prendergast ◽  
Christopher R. McNeill
Keyword(s):  
Fine Structure ◽  
First Principles ◽  
X Ray ◽  
Absorption Fine ◽  
Naphthalene Diimide ◽  
X Ray Absorption

scholarly journals Characterization of pentavalent and hexavalent americium complexes in nitric acid using X-ray absorption fine structure spectroscopy and first-principles modeling

2016 ◽  
Vol 309 (3) ◽  
pp. 1087-1095 ◽  
Author(s):  
Catherine Riddle ◽  
Kenneth Czerwinski ◽  
Eunja Kim ◽  
Patricia Paviet ◽  
Philippe Weck ◽  
...  
Keyword(s):  
Fine Structure ◽  
Nitric Acid ◽  
First Principles ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption
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