Abstract
In this paper, the variation in band gap E g with composition has been investigated by means of the parameter V e (V e is the electron-cloud equivalent volume of the outmost electron in a molecular). The reasoning indicates that E g is correlated with V e. The measured data of some alkaline earth metal halides support the reasoning. On this basis, with the help of the relationship between composition and V e, the correlation among composition, V e and E g is determined. Since the Nephelauxetic effect affects V e, it also affects E g, that is, from the perspective of parameter V e, the Nephelauxetic effect is a factor affecting E g. A simple method for analyzing the effect of composition on E g by means of the Nephelauxetic effect and the chemical bond property is proposed. For the alkaline earth metal halides, Mg-doped ZnO crystal, elements of group 4A in the periodic table and some phenomena, the effect of composition on E g is analyzed by using this method, and the analysis results are consistent with their realities, which verify the effectiveness of this method. This work helps to adjust E g by changing the composition and develop new materials efficiently.
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