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Register a new userInterplay of spin-orbit coupling and hybridization in Ca3LiOsO6 and Ca3LiRuO6
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The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we investigate the magnetic interactions and probe how the magnetism is influenced by the change in hierarchy of interactions as we move from Ca3LiOsO6 (5d3) to Ca3LiRuO6 (4d3). An alteration of the spin-gap and ordered local moment is observed, however the magnetic structure, Neel temperature and exchange interactions are unaltered. To explain this behavior it is necessary to include both spin-orbit coupling and hybridization, indicating the importance of an intermediate coupling approach when describing 5$d$ oxides.
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We employ reactive molecular-beam epitaxy to synthesize the metastable perovskite SrIrO$_{3}$ and utilize {it in situ} angle-resolved photoemission to reveal its electronic structure as an exotic narrow-band semimetal. We discover remarkably narrow bands which originate from a confluence of strong spin-orbit interactions, dimensionality, and both in- and out-of-plane IrO$_6$ octahedral rotations. The partial occupation of numerous bands with strongly mixed orbital characters signals the breakdown of the single-band Mott picture that characterizes its insulating two-dimensional counterpart, Sr$_{2}$IrO$_{4}$, illustrating the power of structure-property relations for manipulating the subtle balance between spin-orbit interactions and electron-electron interactions.
Tailoring spin-orbit interactions and Coulomb repulsion are the key features to observe exotic physical phenomena such as magnetic anisotropy and topological spin texture at oxide interfaces. Our study proposes a novel platform for engineering the magnetism and spin-orbit coupling at LaMnO3/SrIrO3 (3d-5d oxide) interfaces by tuning the LaMnO3 growth conditions which controls the lattice displacement and spin-correlated interfacial coupling through charge transfer. We report on a tunable and enhanced interface-induced Rashba spin-orbit coupling and Elliot-Yafet spin relaxation mechanism in LaMnO3/SrIrO3 bilayer with change in the underlying magnetic order of LaMnO3. We also observed enhanced spin-orbit coupling strength in LaMnO3/SrIrO3 compared to previously reported SrIrO3 layers. The X-Ray spectroscopy measurement reveals the quantitative valence of Mn and their impact on charge transfer. Further, we performed angle-dependent magnetoresistance measurements, which show signatures of magnetic proximity effect in SrIrO3 while reflecting the magnetic order of LaMnO3. Our work thus demonstrates a new route to engineer the interface induced Rashba spin-orbit coupling and magnetic proximity effect in 3d-5d oxide interfaces which makes SrIrO3 an ideal candidate for spintronics applications.
We study electronic and magnetic properties of the quasi-one-dimensional spin-1/2 magnet Ba3Cu3Sc4O12 with a distinct orthogonal connectivity of CuO4 plaquettes. An effective low-energy model taking into account spin-orbit coupling was constructed by means of first-principles calculations. On this basis a complete microscopic magnetic model of Ba3Cu3Sc4O12, including symmetric and antisymmetric anisotropic exchange interactions, is derived. The anisotropic exchanges are obtained from a distinct first-principles numerical scheme combining, on one hand, the local density approximation taking into account spin-orbit coupling, and, on the other hand, projection procedure along with the microscopic theory by Toru Moriya. The resulting tensors of the symmetric anisotropy favor collinear magnetic order along the structural chains with the leading ferromagnetic coupling J1 = -9.88 meV. The interchain interactions J8 = 0.21 meV and J5 = 0.093 meV are antiferromagnetic. Quantum Monte Carlo simulations demonstrated that the proposed model reproduces the experimental Neel temperature, magnetization and magnetic susceptibility data. The modeling of neutron diffraction data reveals an important role of the covalent Cu-O bonding in Ba3Cu3Sc4O12.
The influence of spin-orbit coupling (SOC) on the physical properties of the 5d2 system Sr2MgOsO6 is probed via a combination of magnetometry, specific heat measurements, elastic and inelastic neutron scattering, and density functional theory calculations. Although a significant degree of frustration is expected, we find that Sr2MgOsO6 orders in a type I antiferromagnetic structure at the remarkably high temperature of 108 K. The measurements presented allow for the first accurate quantification of the size of the magnetic moment in a 5d2 system of 0.60(2) muB - a significantly reduced moment from the expected value for such a system. Furthermore, significant anisotropy is identified via a spin excitation gap, and we confirm by first principles calculations that SOC not only provides the magnetocrystalline anisotropy, but also plays a crucial role in determining both the ground state magnetic order and the size of the local moment in this compound. Through comparison to Sr2ScOsO6, it is demonstrated that SOC-induced anisotropy has the ability to relieve frustration in 5d2 systems relative to their 5d3 counterparts, providing an explanation of the high TN found in Sr2MgOsO6.
Using ab initio calculations, we have investigated an insulating tetragonally distorted perovskite BaCrO$_3$ with a formal $3d^2$ configuration, the volume of which is apparently substantially enhanced by a strain due to SrTiO$_3$ substrate. Inclusion of both correlation and spin-orbit coupling (SOC) effects leads to a metal-insulator transition and in-plane zigzag orbital-ordering (OO) of alternating singly filled $d_{xz}+id_{yz}$ and $d_{xz}-id_{yz}$ orbitals, which results in a large orbital moment $M_L$ ~ -0.78 $mu_B$ antialigned to the spin moment $M_S$ ~ $2|M_L|$ in Cr ions. Remarkably, this ordering also induces a considerable $M_L$ for apical oxygens. Our findings show metal-insulator and OO transitions, driven by an interplay among strain, correlation, and SOC, which is uncommon in 3d systems.
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