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A model of bonding and band-forming for oxides and nitrides

 

作者: Chang Q. Sun,  

 

期刊: Applied Physics Letters  (AIP Available online 1998)
卷期: Volume 72, issue 14  

页码: 1706-1708

 

ISSN:0003-6951

 

年代: 1998

 

DOI:10.1063/1.121158

 

出版商: AIP

 

数据来源: AIP

 

摘要:

Correlation between chemical bonds, energy bands, and the corresponding properties of oxides and nitrides is established. It is proposed that an oxygen or nitrogen atom can hybridize and form a tetrahedron with its four neighbors through bonding orbitals and nonbonding lone pairs. As a result, the energy states of the host material are modified with four additional features, namely,sp3-hybrid bonding, nonbonding (lone pair), antibonding (dipole), and hole states. Therefore, oxygen and nitrogen possess the special ability of not only enlarging the band gap by hole production but also adding an antibonding subband above the Fermi level. ©1998 American Institute of Physics.

 

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