599 / 2019-03-15 20:53:08

Adsorption Characteristics Composition of Ge and Si on 4H-SiC(0001) Surface

First-principles,Adsorption,SiC

全体主题 > Compound Semiconductor Devices

First-principles calculation is employed to calculate the adsorption energy, geometric optimization, charge populations of the adsorptions of Ge and Si atoms on the surface of 4H-SiC (0001). The calculation results of adsorption energy show that, compared with other sites, the most stable adsorption site is top site and that Si atom is more stable on Si surface, while Ge atom is easier to diffuse on Si surface The results of the diffusion barrier also indicates that the Si adsorption atoms are more stable than Ge adsorption. Charge populations shows that the bonding between the adsorbed atom and the surface atom can be confirmed and that the bonding is weak.