Study of electronic properties and bonding configuration at the BN/SiC interface

The electronic properties and bonding configuration at the interface betwee n cubic (zinc blende) BN and 3C-SiC are studied using the first principle l inear muffin-tin orbital (LMTO) method based on local-density-functional (L DA) theory. The (001) superlattice of BN(n)/SiC(n) (n=1-6) is used to study the interface. The calculated results shaw that the preferred bonding conf iguration is Si-N and C-B for the (001) BN/SiC interface. The formation ene rgy of the interface is studied as a function of thickness of the superlatt ice. The origin of the bond formation as well as the electronic properties of the interface are also investigated. (C) 2001 Elsevier Science B.V. All rights reserved.