Effect of isoelectronic doping on honeycomb lattice iridate A_2IrO_3

We have investigated experimentally and theoretically the series (Na$_{1-x}$Li$_{x}$)$_{2}$IrO$_{3}$. Contrary to what has been believed so far, only for $x\leq0.25$ the system forms uniform solid solutions. For larger Li content, as evidenced by powder X-ray diffraction, scanning electron microscopy and density functional theory calculations, the system shows a miscibility gap and a phase separation into an ordered Na$_{3}$LiIr$_2$O$_{6}$ phase with alternating Na$_3$ and LiIr$_2$O$_6$ planes, and a Li-rich phase close to pure Li$_{2}$IrO$_{3}$. For $x\leq 0.25$ we observe (1) an increase of $c/a$ with Li doping up to $x=0.25$, despite the fact that $c/a$ in pure Li$_{2}$IrO$_{3}$ is smaller than in Na$_{2}$IrO$_{3}$, and (2) a gradual reduction of the antiferromagnetic ordering temperature $T_{N}$ and ordered moment. The previously proposed magnetic quantum phase transition at $x\approx 0.7$ may occur in a multiphase region and its nature needs to be re-evaluated.Comment: 8 pages, 9 figures including supplemental informatio

Finite-temperature perturbation theory for quasi-one-dimensional spin-1/2 Heisenberg antiferromagnets

We develop a finite-temperature perturbation theory for quasi-one-dimensional quantum spin systems, in the manner suggested by H.J. Schulz (1996) and use this formalism to study their dynamical response. The corrections to the random-phase approximation formula for the dynamical magnetic susceptibility obtained with this method involve multi-point correlation functions of the one-dimensional theory on which the random-phase approximation expansion is built. This ``anisotropic'' perturbation theory takes the form of a systematic high-temperature expansion. This formalism is first applied to the estimation of the N\'eel temperature of S=1/2 cubic lattice Heisenberg antiferromagnets. It is then applied to the compound Cs$_2$CuCl$_4$, a frustrated S=1/2 antiferromagnet with a Dzyaloshinskii-Moriya anisotropy. Using the next leading order to the random-phase approximation, we determine the improved values for the critical temperature and incommensurability. Despite the non-universal character of these quantities, the calculated values are different by less than a few percent from the experimental values for both compounds.Comment: 11 pages, 6 figure

Spin wave theory for antiferromagnetic XXZ spin model on a triangle lattice in the presence of an external magnetic field

Spin wave theory is applied to a quantum antiferromagnetic XXZ model on a triangle lattice in the presence of an in-plane magnetic field. The effect of the field is found to enhance the quantum fluctuation and to reduce the sublattice magnetization at the intermediate field strength in the anisotropic case. The possible implication to the field driven quantum phase transition from a spin solid to a spin liquid is discussed.Comment: 5 pages,4 figure

Kitaev interactions between j=1/2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations

Na$_2$IrO$_3$, a honeycomb 5$d^5$ oxide, has been recently identified as a potential realization of the Kitaev spin lattice. The basic feature of this spin model is that for each of the three metal-metal links emerging out of a metal site, the Kitaev interaction connects only spin components perpendicular to the plaquette defined by the magnetic ions and two bridging ligands. The fact that reciprocally orthogonal spin components are coupled along the three different links leads to strong frustration effects and nontrivial physics. While the experiments indicate zigzag antiferromagnetic order in Na$_2$IrO$_3$, the signs and relative strengths of the Kitaev and Heisenberg interactions are still under debate. Herein we report results of ab initio many-body electronic structure calculations and establish that the nearest-neighbor exchange is strongly anisotropic with a dominant ferromagnetic Kitaev part, whereas the Heisenberg contribution is significantly weaker and antiferromagnetic. The calculations further reveal a strong sensitivity to tiny structural details such as the bond angles. In addition to the large spin-orbit interactions, this strong dependence on distortions of the Ir$_2$O$_2$ plaquettes singles out the honeycomb 5$d^5$ oxides as a new playground for the realization of unconventional magnetic ground states and excitations in extended systems.Comment: 13 pages, 2 tables, 3 figures, accepted in NJ

Suppression of orbital ordering by chemical pressure in FeSe1-xSx

We report a high-resolution angle-resolved photo-emission spectroscopy study of the evolution of the electronic structure of FeSe1-xSx single crystals. Isovalent S substitution onto the Se site constitutes a chemical pressure which subtly modifies the electronic structure of FeSe at high temperatures and induces a suppression of the tetragonal-symmetry-breaking structural transition temperature from 87K to 58K for x=0.15. With increasing S substitution, we find smaller splitting between bands with dyz and dxz orbital character and weaker anisotropic distortions of the low temperature Fermi surfaces. These effects evolve systematically as a function of both S substitution and temperature, providing strong evidence that an orbital ordering is the underlying order parameter of the structural transition in FeSe1-xSx. Finally, we detect the small inner hole pocket for x=0.12, which is pushed below the Fermi level in the orbitally-ordered low temperature Fermi surface of FeSe.Comment: Latex, 5 pages, 4 figure

Ocean Planet or Thick Atmosphere: On the Mass-Radius Relationship for Solid Exoplanets with Massive Atmospheres

The bulk composition of an exoplanet is commonly inferred from its average density. For small planets, however, the average density is not unique within the range of compositions. Variations of a number of important planetary parameters--which are difficult or impossible to constrain from measurements alone--produce planets with the same average densities but widely varying bulk compositions. We find that adding a gas envelope equivalent to 0.1%-10% of the mass of a solid planet causes the radius to increase 5-60% above its gas-free value. A planet with a given mass and radius might have substantial water ice content (a so-called ocean planet) or alternatively a large rocky-iron core and some H and/or He. For example, a wide variety of compositions can explain the observed radius of GJ 436b, although all models require some H/He. We conclude that the identification of water worlds based on the mass-radius relationship alone is impossible unless a significant gas layer can be ruled out by other means.Comment: 5 pages, 3 figures, accepted to Ap