A Zero-Order Electronic Structure Model for Ionic Diatomic Molecules

Author(s):  
Robert W. Field
1997 ◽  
Vol 486 ◽  
Author(s):  
G. Allan ◽  
C. Delerue ◽  
M. Lannoo

AbstractThe electronic structure of amorphous silicon layers has been calculated within the empirical tight binding approximation using the Wooten-Winer-Weaire atomic structure model. We predict an important blue shift due to the confinement for layer thickness below 3 nm and we compare with crystalline silicon layers. The radiative recombination rate is enhanced by the disorder and the confinement but remains quite small. The comparison of our results with experimental results shows that the density of defects and localized states in the studied samples must be quite small.


1998 ◽  
Vol 18 (1-2) ◽  
pp. 1-11 ◽  
Author(s):  
R. Vetter ◽  
P. Luc ◽  
C. Amiot

High resolution Doppler-free laser techniques are used in beam experiments to improve the spectroscopic description of complex diatomic molecules. The case of TiO is considered here for its implication in reaction dynamics studies and its interest in Astrophysics. Two absorption bands in the visible have been analyzed: B3Π−X3 Δ(1−0) and c1Φ−a1 Δ(0−0). Owing to accurate wavenumber measurements, it has been possible to extend the analysis to high rotational quantum numbers and to carry out detailed spectroscopic calculations. They show that a careful revisiting of the TiO electronic structure is necessary.


1967 ◽  
Vol 40 ◽  
pp. 20-36
Author(s):  
Kunifusa Kayama ◽  
Eiichi Ishiguro

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