Ab-initio study of donor-acceptor codoping for n-type CuO

• Main Authors: Peng, Yuan, Zheng, Jianwei, Wu, Ping, Wang, Junling
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Science::Physics
• Online Access: https://hdl.handle.net/10356/79511; http://hdl.handle.net/10220/24284
• Institution: Nanyang Technological University

Single n-type dopant in CuO has either a deep donor level or limited solubility, inefficient in generating free electrons. We have performed ab-initio study of the donor-acceptor codoping to obtain n-type CuO. Our results show that N codoping can slightly improve the donor level of Zr and In by form...