The defects regulating for the electronic structure and optical properties of 4H-SiC with (0001) surface

Highlights

•

The pristine (0001) surface and surface with defect structures for 4H-SiC are proposed.

•

The regulating mechanism for electronic structure of 4H-SiC relies on the electron distribution on the surface.

•

Electron-transfer and optical properties of 4H-SiC (0001) surface should be controlled by the defect types.

•

The formation energy of defect surface is calculated and it is a judgement standard of defects surface stability.

Abstract

The electronic structure and optical properties of 4H-SiC bulk, pristine (0001) surface and the (0001) surface with defects have been studied by the first principles plane wave method. The results showed that 4H-SiC is an indirect semiconductor with the band gap of 2.045 eV, the pristine (0001) surface was an indirect n type semiconductor with the band gap of 0.65 eV, the (0001) surface with defect of carbon vacancy (VC) was an indirect p type semiconductor with the band gap of 0.46 eV, the (0001) surface with substitution Si for C (SiC) was a semimetal. The optical properties of 4H-SiC were modulated by the electronic bonding types of Si 3p and C 2p. The calculation provided theoretical reference for the study of 4H-SiC.

Keywords

4H-SiC,Formation energy,Electronic structure,Optical properties,First principles

Source:ScenceDirect

If you need more information about SiC 4H,please visit our website:www.qualitymaterial.net,and 

send us email at angle.ye@powerwaywafer.com or powerwaymaterial@gmail.com.