Ab initio total energy calculations are used to determine the interface structure of GaN films grown on 6H-SiC(0001)with different substrate reconstructions.The results indicate that GaN films grown on bare SiC(0001)a...Ab initio total energy calculations are used to determine the interface structure of GaN films grown on 6H-SiC(0001)with different substrate reconstructions.The results indicate that GaN films grown on bare SiC(0001)are of the Ga-polarity,while GaN films grown on SiC(0001)with Si adlayer are of the N-polarity if there is no N-Si interchange at the interface.With the interchange,the GaN films are of the Ga-polarity.展开更多
文摘Ab initio total energy calculations are used to determine the interface structure of GaN films grown on 6H-SiC(0001)with different substrate reconstructions.The results indicate that GaN films grown on bare SiC(0001)are of the Ga-polarity,while GaN films grown on SiC(0001)with Si adlayer are of the N-polarity if there is no N-Si interchange at the interface.With the interchange,the GaN films are of the Ga-polarity.
