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Non-collinear Order and Spin-Orbit Coupling in Sr$_3$ZnIrO$_6$

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 Added by Devashibhai Adroja
 Publication date 2016
  fields Physics
and research's language is English




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Sr$_{3}$ZnIrO$_{6}$ is an effective spin one-half Mott insulating iridate belonging to a family of magnets which includes a number of quasi-one dimensional systems as well as materials exhibiting three dimensional order. Here we present the results of an extensive investigation into the magnetism including heat capacity, a.c. susceptibility, muon spin rotation ($mu$SR), neutron diffraction and inelastic neutron scattering on the same sample. It is established that the material exhibits a transition at about $17$ K into a three-dimensional antiferromagnetic structure with propagation vector $boldsymbol{k}=(0,frac{1}{2},1)$ in the hexagonal setting of R$bar{3}$c and non-collinear moments of $0.87$$mu_B$ on Ir$^{4+}$ ions. Further we have observed a well defined powder averaged spin wave spectrum with zone boundary energy of $sim 5$ meV at $5$ K. We stress that a theoretical analysis shows that the observed non-collinear magnetic structure arises from anisotropic inter- and intra- chain exchange which has its origin in significant spin-orbit coupling. The model can satisfactorily explain the observed spin wave excitations.



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Double-perovskite oxides that contain both 3d and 5d transition metal elements have attracted growing interest as they provide a model system to study the interplay of strong electron interaction and large spin-orbit coupling (SOC). Here, we report on experimental and theoretical studies of the magnetic and electronic properties of double-perovskites (La$_{1-x}$Sr$_x$)$_2$CuIrO$_6$ ($x$ = 0.0, 0.1, 0.2, and 0.3). The undoped La$_2$CuIrO$_6$ undergoes a magnetic phase transition from paramagnetism to antiferromagnetism at T$_N$ $sim$ 74 K and exhibits a weak ferromagnetic behavior below $T_C$ $sim$ 52 K. Two-dimensional magnetism that was observed in many other Cu-based double-perovskites is absent in our samples, which may be due to the existence of weak Cu-Ir exchange interaction. First-principle density-functional theory (DFT) calculations show canted antiferromagnetic (AFM) order in both Cu$^{2+}$ and Ir$^{4+}$ sublattices, which gives rise to weak ferromagnetism. Electronic structure calculations suggest that La$_2$CuIrO$_6$ is an SOC-driven Mott insulator with an energy gap of $sim$ 0.3 eV. Sr-doping decreases the magnetic ordering temperatures ($T_N$ and $T_C$) and suppresses the electrical resistivity. The high temperatures resistivity can be fitted using a variable-range-hopping model, consistent with the existence of disorders in these double-pervoskite compounds.
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We investigate the antiferromagnetic insulating state of the recently discovered double perovskites Sr$_2$XOsO$_6$ (X$=$Sc, Mg) by using ab-initio calculations (based on Density Functional Theory and Dynamical Mean-Field Theory) to elucidate the interplay between electronic correlations and spin-orbit coupling. The structural details of Sr$_2$XOsO$_6$ (X$=$Sc, Mg) induce band narrowing effects which enhance local electronic correlations. The half-filled $5d^3$ orbitals of Os in Sr$_2$ScOsO$_6$ fall into a magnetically ordered correlated regime, which is slightly affected and reduced by the spin-orbit coupling. The electronic configuration $5d^2$ of Os in Sr$_2$MgOsO$_6$ responses differently to electronic correlations promoting a less localized state than Sr$_2$ScOsO$_6$ at the same strength of electronic interactions. We find that the inclusion of spin-orbit coupling drives Sr$_2$MgOsO$_6$ toward insulating behaviour and promotes a large tendency in formation of orbital magnetization antiparallel to the spin moment. The formation of the AFM state is linked to the evidence of correlated Hubbard bands in the paramagnetic solution of Sr$_2$XOsO$_6$ (X$=$Sc, Mg).
112 - Asad Niazi 2001
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