Abstract
The magnetic ground state of cobalt perovskite ${\mathrm{SrCoO}}_{3}$ is under much debate at present due to its complex magnetic properties. To shed further light on this issue we have studied various magnetic structures of enlarged double cells. The calculation is carried out self-consistently within the unrestricted Hartree-Fock approximation and the real-space recursion method. Our results show that the magnetic ground state mainly depends on the competition between the crystal field strength $\mathrm{Dq}$ and Hund's coupling $j$. For a fixed $j$, it can be either the intermediate-spin state ${(t}_{2g}^{4}{e}_{g}^{1})$, the low-spin--intermediate-spin ferromagnetically and charge-ordered state ${(t}_{2g}^{5}{e}_{g}^{0}{\ensuremath{-}t}_{2g}^{4}{e}_{g}^{1}\ensuremath{-}\mathrm{F}\mathrm{M})$, or the low-spin state ${(t}_{2g}^{5}{e}_{g}^{0})$ as $\mathrm{Dq}$ increases. However, the intermediate-spin state is the most probable candidate for the magnetic ground state in view of the experimental photoemission spectra and magnetic moment.
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.
