Abstract
Surface effects on the magnetization of Zn-doped SnO2 are investigated using first principles method. Magnetic behavior of Zn-doped bulk and highest and lowest energy surfaces—(001) and (110), respectively, are investigated in presence and absence of other intrinsic defects. The Zn-doped (110) and (001) surfaces of SnO2 show appreciable increase in the magnetic moment (MM) compared to Zn-doped bulk SnO2. Formation energies of Zn defects on both the surfaces are found to be lower than those in bulk SnO2. Zn doping favors the formation of oxygen vacancies. The density of states analysis on the Zn-doped (110) surface reveals that the spin polarization of the host band occurs primarily from p-orbitals of bridging oxygen atoms and the Zn atom itself contributes minimally. The present work provides a key understanding on the role played by the surfaces in inducing the magnetism of doped nanoparticles and thin films.
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.
