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A model of bond-and-band for the behavior of nitrides

Sun, C.Q. (1997) A model of bond-and-band for the behavior of nitrides. Modern Physics Letters B, 11 (23). pp. 1021-1029.

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A bond-and-band model is developed to incorporate the chemical bond and the energy band of nitrides. It is suggested that the symmetrical difference of the tetrahedral bond-structure and the similarity in the energy-band determine the performance of these compounds. The presence of bonding, nonbonding lone-pair and the lone-pair-induced antibonding features are of key importance to these materials. Well acclaimed by existing evidence, this model provided preliminary understanding of the physical properties of some nitrides and oxides and particularly, some insight into the origins of the N-enhanced magnetization, the blue-shift in nitride and oxide light emitting as well as the ultrahard and super elastic materials.

Publication Type: Journal Article
Murdoch Affiliation: School of Mathematical and Physical Sciences
Publisher: World Scientific Publishing
Copyright: © World Scientific Publishing Company.
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