Energy of chemical bonds and spatial energy principles of the hybridization of atom orbitals

2006 ◽  
Vol 101 (3) ◽  
pp. 2101-2107 ◽  
Author(s):  
G. A. Korablev ◽  
G. E. Zaikov
2012 ◽  
Vol 05 (02) ◽  
pp. 1260002 ◽  
Author(s):  
KEYAN LI ◽  
YANJU LI ◽  
DONGFENG XUE

We have developed empirical equations to quantitatively calculate the band gap values of binary ANB8-N and ternary ABC2 chalcopyrite semiconductors from the general viewpoint of chemical bonding processes upon electronegativity (EN). It is found that the band gap of crystal materials is essentially determined by the binding energy of chemical bonds to the bonding electrons, which can be effectively described by the average attractive abilities of two bonded atoms to their valence electrons and the delocalization degree of the valence electrons. The calculated band gap values of a large number of compounds can agree well with the available experimental data. This work provides us an efficient approach to quantitatively predict the band gap values of inorganic crystal materials on the basis of fundamental atom parameters such as EN, atomic radius, etc.


Author(s):  
R. H. Duff

A material irradiated with electrons emits x-rays having energies characteristic of the elements present. Chemical combination between elements results in a small shift of the peak energies of these characteristic x-rays because chemical bonds between different elements have different energies. The energy differences of the characteristic x-rays resulting from valence electron transitions can be used to identify the chemical species present and to obtain information about the chemical bond itself. Although these peak-energy shifts have been well known for a number of years, their use for chemical-species identification in small volumes of material was not realized until the development of the electron microprobe.


1974 ◽  
Vol 113 (6) ◽  
pp. 360 ◽  
Author(s):  
O.M. Sumbaev ◽  
E.V. Petrovich ◽  
Yu.P. Smirnov ◽  
I.M. Band ◽  
Aleksandr I. Smirnov

1992 ◽  
Author(s):  
Jr Yates ◽  
John T.
Keyword(s):  

2009 ◽  
Author(s):  
Bezverkhniy Volodymyr Dmytrovych
Keyword(s):  

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