Half metallic ferromagnetism in tri-layered perovskites SrTO (T=Co, Rh)
arXiv:1408.1216 · doi:10.1063/1.4907933
Abstract
First-principles density functional theory (DFT) is used to investigate the electronic and magnetic properties of SrRhO, a member of the Ruddlesden-Popper series. Based on the DFT calculations taking into account the co-operative effect of Coulomb interaction () and spin-orbit couplings (SOC), SrRhO is found to be a half metallic ferromagnet (HMF) with total angular moment =12 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. =36 per unit cell), compared to SrRhO. We propose SrRhO and SrCoO as candidates of half metals.
11 pages, 5 figures, Materials Science (cond-mat.mtrl-sci), Spintronics
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