Electronic Structure of Wide Bandgap Semiconductor Interfaces: Cubic SiC/AIN, SiC/BP, C/BN

Abstract

ABSTRACTThe linear muffin-tin orbital supercell band-structure method is used to calculate the interface energy of formation, band offsets and local densities of states at the latticematched (110) heterojunctions between (cubic SiC)/(cubic AIN), (cubic SiC)/(cubic BP) and (diamond C)/(cubic BN). The lowest energy bonding configuration for SiC/AIN is found to be Si to N and C to Al bonding while for SiC/BP, Si is found to bind to B and C to P. The causes for these preferred bonding configurations are explained in terms of electrostatic effects. The band offsets are found to be of type II for SiC/BP and SiC/BN and of type I for SiC/AIN.