Electronic structure of O-doped SiGe calculated by DFT + <italic>U</italic> method

Electronic structure of O-doped SiGe calculated by DFT + U method

Zhao Zong-Yan^{1, 2, †,}, Yang Wen³, Yang Pei-Zhi³

Top panels: the stable configurations of O-doped SiGe (001)–Si surface (Only the top SiGe bi-layer is shown here.); Middle panels: the corresponding contour maps of electron density; bottom panels: the corresponding contour maps of electron density difference.