Core-level shifts in complex metallic systems from first principle

2006 ◽  
Vol 243 (11) ◽  
pp. 2447-2464 ◽  
Author(s):  
Weine Olovsson ◽  
Christian Göransson ◽  
Tobias Marten ◽  
Igor A. Abrikosov
Keyword(s):  
Core Level ◽  
First Principle ◽  
Level Shifts ◽  
Metallic Systems

Core-Level Shifts in Si(001)-SiO2 Systems: The Value of First-Principle Investigations

1998 ◽  
pp. 89-102 ◽  
Author(s):  
Alfredo Pasquarello ◽  
Mark S. Hybertsen ◽  
G.-M. Rignanese ◽  
Roberto Car
Keyword(s):  
Core Level ◽  
First Principle ◽  
Level Shifts

First-principle study of C 1s core-level shifts in amorphous carbon

2001 ◽  
Vol 22 (1-2) ◽  
pp. 67-72 ◽  
Author(s):  
Rainer Haerle ◽  
Alfredo Pasquarello ◽  
Alfonso Baldereschi
Keyword(s):  
Amorphous Carbon ◽  
Core Level ◽  
First Principle ◽  
Level Shifts

Surface core level shifts of A II–VI compound: CdTe

1988 ◽  
Vol 206 (3) ◽  
pp. L871-L879 ◽  
Author(s):  
K.C. Prince ◽  
G. Paolucci ◽  
V. Cháb ◽  
M. Surman ◽  
A.M. Bradshaw
Keyword(s):  
Core Level ◽  
Level Shifts

Semiconductor surface core level shifts by use of selected overlayers

1990 ◽  
Vol 41 (6) ◽  
pp. 1034-1036 ◽  
Author(s):  
J C Woicik ◽  
T Kendelewicz ◽  
K Miyano ◽  
R Cao ◽  
P Pianetta ◽  
...  
Keyword(s):  
Core Level ◽  
Semiconductor Surface ◽  
Level Shifts

Si(111) 2×1 surface core-level shifts investigated by use of Ge overlayer

1989 ◽  
Vol 40 (18) ◽  
pp. 12463-12467 ◽  
Author(s):  
J. C. Woicik ◽  
P. Pianetta ◽  
T. Kendelewicz
Keyword(s):  
Core Level ◽  
Level Shifts

Core level shifts in the3dtransition metals and tin

1976 ◽  
Vol 13 (6) ◽  
pp. 2358-2365 ◽  
Author(s):  
R. E. Watson ◽  
M. L. Perlman ◽  
J. F. Herbst
Keyword(s):  
Core Level ◽  
Level Shifts

Core Level Shifts and Grain Boundary Cohesion

1998 ◽  
Vol 4 (S2) ◽  
pp. 766-767
Author(s):  
D. A. Muller
Keyword(s):  
Charge Transfer ◽  
Valence Band ◽  
Core Level ◽  
Level Shift ◽  
The Core ◽  
Metallic Interfaces ◽  
Level Shifts ◽  
Electron Energy Loss ◽  
Valence Band Width

The role of core level shifts at metallic interfaces has often been ignored in electron energy loss spectroscopy (EELS) even though very small changes in bond length can lead to large core level shifts. However, the popular interpretation of core level shifts as measures of charge transfer is highly problematic. For instance, in binary alloys systems, the core level shifts can be the same sign for both atomic constituents[l]. The simple interpretation would require that both atomic species had lost or gained charge. Further, the signs of the core level shifts can be opposite to those expected from electronegativity arguments[2]. A core level shift (CLS) is still possible, even when no charge transfer occurs. As illustrated in Fig. 1, if the valence band width is increased, the position of the center of the valence band with respect to the Fermi energy will change (as the number of electrons remains unchanged).

Surface core level shifts and energies of segregation in La and Yb systems

1985 ◽  
Vol 162 (1-3) ◽  
pp. A573
Author(s):  
A. Nilsson ◽  
N. Mårtensson ◽  
J. Hedman ◽  
B. Eriksson ◽  
R. Bergman ◽  
...  
Keyword(s):  
Core Level ◽  
Level Shifts

Tetrapeptide unfolding dynamics followed by core-level spectroscopy: a first-principles approach

2015 ◽  
Vol 17 (17) ◽  
pp. 11269-11276 ◽  
Author(s):  
Simone Taioli ◽  
Stefano Simonucci ◽  
Silvio a Beccara ◽  
Marco Garavelli
Keyword(s):  
First Principles ◽  
Core Level ◽  
Time Resolved ◽  
Level Shifts ◽  
Set Up

An apparatus set-up for performing time-resolved synchrotron measurements of core level shifts in a model bio-molecule.

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