Abstract
We have investigated the electronic structure of Co-doped zinc-blende ZnO using first principles full potential linearized augmented plane-wave (FP-LAPW) method. The relative stability of the ground state, the density of states and the electronic band structure are examined. The results reveal that the antiferromagnetism (AFM) state is the ground state and the ferromagnetism (FM) state is the metastable one. The obtained electronic structure reveal that the Co-doped zinc-blende ZnO exhibits metallic with LDA while a semiconductor within the LDA+U scheme in the AFM ground state. The magnetic moments mainly arise from the Co atom with a little contribution from the nearest-neighboring O atoms due to the hybridization between the Co 3d states and the nearest-neighboring O 2p states.
Sign-in/Register to access full text options 
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 callDisclaimer: 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.
