scholarly journals Multiple scattering of electrons in solids and molecules: A cluster-model approach

2001 ◽  
Vol 63 (7) ◽  
Author(s):  
F. J. García de Abajo ◽  
M. A. Van Hove ◽  
C. S. Fadley
Keyword(s):  
Multiple Scattering ◽  
Cluster Model ◽  
Model Approach

Ir5dstate ofCuIr2S4: A cluster-model approach

2003 ◽  
Vol 68 (19) ◽  
Author(s):  
K. Kitamoto ◽  
Y. Taguchi ◽  
K. Mimura ◽  
K. Ichikawa ◽  
O. Aita ◽  
...  
Keyword(s):  
Cluster Model ◽  
Model Approach

Cluster-model DFT simulations of the infrared spectra of triazine-based molecular crystals

2018 ◽  
Vol 20 (32) ◽  
pp. 20779-20784 ◽  
Author(s):  
Xiaohong Yuan ◽  
Kun Luo ◽  
Nan Liu ◽  
Xueqiang Ji ◽  
Chao Liu ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ir Spectra ◽  
Infrared Spectra ◽  
Cluster Model ◽  
Molecular Crystals ◽  
Dft Simulations ◽  
Independent Molecules ◽  
Model Approach

A cluster-model approach is developed to simulate the IR spectra of triazine-based molecular crystals, and the distinct hydrogen-bonding environments of the crystallographically independent molecules can be clearly revealed.

ELASTIC AND INELASTIC PROTON MULTIPLE SCATTERING ON 12C AND 16O NUCLEI

1991 ◽  
Vol 06 (09) ◽  
pp. 775-780 ◽  
Author(s):  
YU. A. BEREZHNOY ◽  
V.P. MIKHAILYUK ◽  
V.V. PILIPENKO
Keyword(s):  
Experimental Data ◽  
Inelastic Scattering ◽  
Multiple Scattering ◽  
Single Particle ◽  
Scattering Theory ◽  
Cluster Model ◽  
Diffraction Scattering ◽  
Multiple Diffraction ◽  
Nucleon Density ◽  
Mev Protons

The elastic and inelastic scattering polarization observables of the 800 MeV protons on 12C and 16O nuclei are calculated on the basis of the multiple diffraction scattering theory. It was shown that the results of the calculations for elastic p-12C and p-16O scattering by the α-cluster model with dispersion are in a better agreement with the experimental data than those with the single-particle nucleon density.

BREAKDOWN OF THE FORWARD SCATTERING MODEL IN MgO(001)

1999 ◽  
Vol 06 (06) ◽  
pp. 1207-1214 ◽  
Author(s):  
A. CHASSÉ ◽  
L. NIEBERGALL ◽  
P. RENNERT ◽  
I. UHLIG ◽  
T. CHASSÉ
Keyword(s):  
Angular Distribution ◽  
Kinetic Energy ◽  
Multiple Scattering ◽  
Angular Dependence ◽  
Cluster Model ◽  
Distribution Curve ◽  
Forward Scattering ◽  
Auger Electrons ◽  
Scattering Model

Typically, enhanced intensities are observed along low-index crystallographic directions of the crystal when Auger or photoelectrons with a kinetic energy of several hundred eV or more are emitted from atoms in a solid. This effect is a result of strong forward scattering of emitted electrons by overlying lattice atoms. Contrary to this image, a strong dip along the [110] direction has been found in the angular distribution curve of O-KLL Auger electrons of the MgO(001) surface, even though the kinetic energy of O-KLL Auger electrons is about 500 eV. The angular dependence of Auger (O-KLL, Mg-KLL) and photoelectrons (O1s) in MgO(001) is discussed and explained within a multiple scattering cluster model, respectively.

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