Tailoring the optical properties of transition metal doped ZnSe crystals from DFT+U calculations

• 作 者: Jihua Zhang J.W.Ding
• 机 构: Guizhou Provincial Key Laboratory of Computational Nano-Material Science,Guizhou Normal College,115
• 出 处: 中国物理学会2013年秋季学术会议
• 发表日期: 2013年期

　　The formation energies and optical properties of TM:ZnSe systems (TM=Cr2+,Mn2+,Fe2+,Co2+ and Ni2+) are investigated by using first principles method.