Abstract
Co doped ZnO (Zn1−xCoxO) is studied as a prototype material for transition metal doped II–VI diluted magneticsemiconductors (DMSs) from first-principles and Monte Carlo simulations. The exchangeinteractions are calculated using the Korringa–Kohn–Rostoker (KKR) Green’s functionmethod. The exchange coupling constants thus obtained are treated in the classicalHeisenberg model and the magnetic phase transitions are studied by the MonteCarlo technique. Our results show that the defect free substitutional DMSs ofZn1−xCoxO do not sustain magnetization at low concentration. At high concentration, we findlayered magnetic structures. Ferromagnetism, with Curie temperature below roomtemperature, is stable at intermediate Co concentrations. First-principles studies with thegeneralized gradient approximation (GGA) and the GGA together with the HubbardU are discussed with respect to structural and electronic properties of ZnO.
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.
