Abstract
The nature of the orbital ordering in the frustrated spinel CdV2O4 was examined on the basis of first-principles electronic structure calculations. GGA predicts the ferromagnetic half-metallic ground state while GGA+U shows antiferromagnetic Mott insulator with a staggered dxy 1dxz 1 (V2) and dxy 1dyz 1 (V1) orbital order. The magnetic moments were found to be close to the experimental results. Results show that electron correlation and co-operative Jahn-Teller distortions play a significant role in determining the orbital ordering. Keywords: Oxide, magnetism, electronic structure, orbital ordering.
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.
