Abstract

We investigate the defect properties of group-I elements such as Li and Na in ZnO through first-principles calculations. Compared with group-V elements such as N, P, and As, Li and Na dopants at substitutional sites have shallower acceptor levels, but, these acceptors are mostly compensated by coexisting interstitial donors. Our calculations show that a codoping technique with hydrogen severely suppresses the concentration of interstitial donors, and greatly enhances the solubility of group-I dopants via the formation of hydrogen–acceptor complexes. The hydrogen-passivated acceptors easily recover the electrical activity by post-annealing, and thus low-resistivity p-type ZnO is achievable with dopants different from group-V elements.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.