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arXiv · 1408.1216

Half metallic ferromagnetism in tri-layered perovskites Sr$_4$T$_{3}$O$_{10}$ (T=Co, Rh)

Madhav P. Ghimire·R. K. Thapa·D. P. Rai·Sandeep·T. P. Sinha·Xiao Hu
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Abstract

First-principles density functional theory (DFT) is used to investigate the electronic and magnetic properties of Sr$_4$Rh$_3$O$_{10}$, a member of the Ruddlesden-Popper series. Based on the DFT calculations taking into account the co-operative effect of Coulomb interaction ($U$) and spin-orbit couplings (SOC), Sr$_4$Rh$_3$O$_{10}$ is found to be a half metallic ferromagnet (HMF) with total angular moment $\mu_{\rm {tot}}$=12$\mu_B$ per unit cell. The material has almost 100$\%$ spin-polarization at the Fermi level despite of sizable SOC. Replacement of Rh atom by the isovalent Co atom is considered. Upon full-replacement of Co, a low-spin to intermediate spin transition happens resulting in a HMF state with the total angular moment three-time larger (i.e. $\mu_{\rm {tot}}$=36$\mu_B$ per unit cell), compared to Sr$_4$Rh$_3$O$_{10}$. We propose Sr$_4$Rh$_3$O$_{10}$ and Sr$_4$Co$_3$O$_{10}$ as candidates of half metals.

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Madhav P. Ghimire, R. K. Thapa, D. P. Rai, Sandeep, T. P. Sinha, Xiao Hu. 2014-08-06. Half metallic ferromagnetism in tri-layered perovskites Sr$_4$T$_{3}$O$_{10}$ (T=Co, Rh). https://doi.org/10.1063/1.4907933

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