First-principles core-level X-ray photoelectron spectroscopy calculation on arsenic defects in silicon crystal

2014 ◽  
Author(s):  
Hiroki Kishi ◽  
Miki Miyazawa ◽  
Naoki Matsushima ◽  
Jun Yamauchi
Keyword(s):  
First Principles ◽  
Photoelectron Spectroscopy ◽  
Silicon Crystal ◽  
Core Level ◽  
X Ray

X-ray Photoelectron Spectroscopy for the Boron Impurities in Silicon: a First-Principles Study

2011 ◽  
Author(s):  
Jun Yamauchi ◽  
Yoshihide Yoshimoto ◽  
Jisoon Ihm ◽  
Hyeonsik Cheong
Keyword(s):  
First Principles ◽  
Photoelectron Spectroscopy ◽  
X Ray ◽  
First Principles Study

scholarly journals Electronic structure of β-Ta films from X-ray photoelectron spectroscopy and first-principles calculations

2019 ◽  
Vol 470 ◽  
pp. 607-612 ◽  
Author(s):  
Martin Magnuson ◽  
Grzegorz Greczynski ◽  
Fredrik Eriksson ◽  
Lars Hultman ◽  
Hans Högberg
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Photoelectron Spectroscopy ◽  
First Principles Calculations ◽  
X Ray

scholarly journals On the prediction of core level binding energies in molecules, surfaces and solids

2018 ◽  
Vol 20 (13) ◽  
pp. 8403-8410 ◽  
Author(s):  
Francesc Viñes ◽  
Carmen Sousa ◽  
Francesc Illas
Keyword(s):  
Photoelectron Spectroscopy ◽  
State Of The Art ◽  
Binding Energies ◽  
Core Level ◽  
Chemical Environment ◽  
X Ray ◽  
Unique Information

Core level binding energies, measured by X-ray photoelectron spectroscopy providing unique information regarding the chemical environment of atoms in a system, can be estimated by a diversity of state-of-the-art accurate methods here detailed.

Insights into the Li-Metal/Organic Carbonate Interfacial Chemistry by Combined First-Principles Theory and X-ray Photoelectron Spectroscopy

2018 ◽  
Vol 123 (1) ◽  
pp. 347-355 ◽  
Author(s):  
Mahsa Ebadi ◽  
Antoine Nasser ◽  
Marco Carboni ◽  
Reza Younesi ◽  
Cleber F. N. Marchiori ◽  
...  
Keyword(s):  
First Principles ◽  
Photoelectron Spectroscopy ◽  
Interfacial Chemistry ◽  
X Ray ◽  
Metal Organic ◽  
Organic Carbonate

scholarly journals Effect of electron correlation in the decomposition of core level binding energy shifts into initial and final state contributions

2019 ◽  
Vol 21 (18) ◽  
pp. 9399-9406 ◽  
Author(s):  
Marc Figueras ◽  
Carmen Sousa ◽  
Francesc Illas
Keyword(s):  
Binding Energy ◽  
Electron Correlation ◽  
Photoelectron Spectroscopy ◽  
Core Level ◽  
Final State ◽  
X Ray ◽  
Core Level Binding Energy

The influence of electron correlation into the decomposition of core level binding energy shifts, measured by X-ray photoelectron spectroscopy (XPS), into initial and final effects is analysed for a series of molecules where these effects are noticeable.

X-ray photoelectron spectroscopy of nitromethane adsorption products on Si(100): A model for N 1s core-level shifts in silicon oxynitride films

2004 ◽  
Vol 95 (4) ◽  
pp. 1963-1968 ◽  
Author(s):  
J. Eng ◽  
I. A. Hubner ◽  
J. Barriocanal ◽  
R. L. Opila ◽  
D. J. Doren
Keyword(s):  
Photoelectron Spectroscopy ◽  
Core Level ◽  
Silicon Oxynitride ◽  
X Ray ◽  
Level Shifts
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