Project supported by the Natural Science Foundation of Yunnan Province,China(Grant No.2015FB123);the 18th Yunnan Province Young Academic and Technical Leaders Reserve Talent Project,China(Grant No.2015HB015);the National Natural Science Foundation of China(Grant No.U1037604)
To more in depth understand the doping effects of oxygen on SiGe alloys, both the micro-structure and properties of O-doped SiGe (including: bulk, (001) surface, and (110) surface) are calculated by DPT + U me...