LaCoO$_{\mathrm{3}}$ (LCO) - Dramatic changes in Magnetic Moment in fields to 500T*

LCO has attracted great attention over the years (\textgreater 2000 publications) because of its unusual magnetic properties; although in its ground state at low temperatures it is non-magnetic. A recent experiment$^{\mathrm{[1]}}$ in pulsed fields to 500T showed a moment of \textasciitilde 1.3$\mu_{\mathrm{B}}$ above 140T, and above \textasciitilde 270T the magnetization rises, reaching \textasciitilde 3.8$\mu_{\mathrm{B\thinspace }}$by 500T. We have performed first principles DFT calculations for LCO in high fields. Our earlier calculations$^{\mathrm{[2]}}$ explained the importance of a small rhombohedral distortion in the ground state that leads to a suppression of the 1.3$\mu_{\mathrm{B}}$ moment for fields below \textasciitilde 140T. By allowing fairly large atomic displacements in high fields, moments of \textasciitilde 4$\mu_{\mathrm{B}}$ are predicted. [1] V. V. Platonov \textit{et al}. Phys. Solid State \textbf{54}, 279 (2012) [2] Y. Lee and B. N. Harmon \textit{et al}. J. Appl. Phys. \textbf{113}, 17E145 (2013)