Three-band Hubbard model for Na2_2IrO3_3: Topological insulator, zigzag antiferromagnet, and Kitaev-Heisenberg material

Na$_2$IrO$_3$ was one of the first materials proposed to feature the Kane-Mele type topological insulator phase. Contemporaneously it was claimed that the very same material is in a Mott insulating phase which is described by the Kitaev-Heisenberg (KH) model. First experiments indeed revealed Mott insulating behavior in conjunction with antiferromagnetic long-range order. Further refined experiments established antiferromagnetic order of zigzag type which is not captured by the KH model. Since then several extensions and modifications of the KH model were proposed in order to describe the experimental findings. Here we suggest that adding charge fluctuations to the KH model represents an alternative explanation of zigzag antiferromagnetism. Moreover, a phenomenological three-band Hubbard model unifies all the pieces of the puzzle: topological insulator physics for weak and KH model for strong electron-electron interactions as well as a zigzag antiferromagnet at intermediate interaction strength.Comment: 5 pages, 3 figures; v2 (as published): added discussion about kinetic energy scale C; more realistic values of C shift the zigzag AFM phase to larger values of

Quantum disordered insulating phase in the frustrated cubic-lattice Hubbard model

In the quest for quantum spin liquids in three spatial dimensions (3D), we study the half-filled Hubbard model on the simple cubic lattice with hopping processes up to third neighbors. Employing the variational cluster approach (VCA), we determine the zero-temperature phase diagram: In addition to a paramagnetic metal at small interaction strength $U$ and various antiferromagnetic insulators at large $U$, we find an intermediate-$U$ antiferromagnetic metal. Most interestingly, we also identify a non-magnetic insulating region, extending from intermediate to strong $U$. Using VCA results in the large-$U$ limit, we establish the phase diagram of the corresponding $J_1$-$J_2$-$J_3$ Heisenberg model. This is qualitatively confirmed - including the non-magnetic region - using spin-wave theory. Further analysis reveals a striking similarity to the behavior of the $J_1$-$J_2$ square-lattice Heisenberg model, suggesting that the non-magnetic region hosts a 3D spin-liquid phase.Comment: 5 pages, 4 figures; final version incl. discussion about material

Rashba spin-orbit coupling in the Kane-Mele-Hubbard model

Spin-orbit (SO) coupling is the crucial parameter to drive topological-insulating phases in electronic band models. In particular, the generic emergence of SO coupling involves the Rashba term which fully breaks the SU(2) spin symmetry. As soon as interactions are taken into account, however, many theoretical studies have to content themselves with the analysis of a simplified U(1)-conserving SO term without Rashba coupling. We intend to fill this gap by studying the Kane-Mele-Hubbard (KMH) model in the presence of Rashba SO coupling and present the first systematic analysis of the effect of Rashba SO coupling in a correlated two-dimensional topological insulator. We apply the variational cluster approach (VCA) to determine the interacting phase diagram by computing local density of states, magnetization, single particle spectral function, and edge states. Preceded by a detailed VCA analysis of the KMH model in the presence of U(1)-conserving SO coupling, we find that the additional Rashba SO coupling drives new electronic phases such as a metallic regime and a weak topological-semiconductor phase which persist in the presence of interactions

Topological insulator, zigzag antiferromagnet, and Kitaev-Heisenberg material

Na2IrO3 was one of the first materials proposed to feature the Kane-Mele-type topological insulator phase. Contemporaneously it was claimed that the very same material is in a Mott insulating phase which is described by the Kitaev- Heisenberg (KH) model. First experiments indeed revealed Mott insulating behavior in conjunction with antiferromagnetic long-range order. Further refined experiments established antiferromagnetic order of zigzag type which is not captured by the KH model. Since then several extensions and modifications of the KH model were proposed in order to describe the experimental findings. Here we suggest that adding charge fluctuations to the KH model represents an alternative explanation of zigzag antiferromagnetism. Moreover, a phenomenological three-band Hubbard model unifies all the pieces of the puzzle: topological insulator physics for weak and KH model for strong electron-electron interactions as well as a zigzag antiferromagnet at intermediate interaction strength

Quantum paramagnet in a π\pi flux triangular lattice Hubbard model

We propose the $\pi$ flux triangular lattice Hubbard model ($\pi$-THM) as a prototypical setup to stabilize magnetically disordered quantum states of matter in the presence of charge fluctuations. The quantum paramagnetic domain of the $\pi$-THM which we identify for intermediate Hubbard U is framed by a Dirac semi-metal for weak coupling and by 120${}^{\circ}$ N\'eel order for strong coupling. Generalizing the Klein duality from spin Hamiltonians to tight-binding models, the $\pi$-THM maps to a Hubbard model which corresponds to the $(J_H, J_K)=(-1,2)$ Heisenberg-Kitaev model in its strong coupling limit. The $\pi$-THM provides a promising microscopic testing ground for exotic finite-U spin liquid ground states amenable to numerical investigation.Comment: 4+e pages, 3 figures; version to appear in Phys. Rev. Let

Bridge to the future: Important lessons from 20 years of ecosystem observations made by the OzFlux network

In 2020, the Australian and New Zealand flux research and monitoring network, OzFlux, celebrated its 20th anniversary by reflecting on the lessons learned through two decades of ecosystem studies on global change biology. OzFlux is a network not only for ecosystem researchers, but also for those ‘next users’ of the knowledge, information and data that such networks provide. Here, we focus on eight lessons across topics of climate change and variability, disturbance and resilience, drought and heat stress and synergies with remote sensing and modelling. In distilling the key lessons learned, we also identify where further research is needed to fill knowledge gaps and improve the utility and relevance of the outputs from OzFlux. Extreme climate variability across Australia and New Zealand (droughts and flooding rains) provides a natural laboratory for a global understanding of ecosystems in this time of accelerating climate change. As evidence of worsening global fire risk emerges, the natural ability of these ecosystems to recover from disturbances, such as fire and cyclones, provides lessons on adaptation and resilience to disturbance. Drought and heatwaves are common occurrences across large parts of the region and can tip an ecosystem's carbon budget from a net CO2 sink to a net CO2 source. Despite such responses to stress, ecosystems at OzFlux sites show their resilience to climate variability by rapidly pivoting back to a strong carbon sink upon the return of favourable conditions. Located in under-represented areas, OzFlux data have the potential for reducing uncertainties in global remote sensing products, and these data provide several opportunities to develop new theories and improve our ecosystem models. The accumulated impacts of these lessons over the last 20 years highlights the value of long-term flux observations for natural and managed systems. A future vision for OzFlux includes ongoing and newly developed synergies with ecophysiologists, ecologists, geologists, remote sensors and modellers.</p

Bridge to the future: Important lessons from 20 years of ecosystem observations made by the OzFlux network

In 2020, the Australian and New Zealand flux research and monitoring network, OzFlux, celebrated its 20th anniversary by reflecting on the lessons learned through two decades of ecosystem studies on global change biology. OzFlux is a network not only for ecosystem researchers, but also for those ‘next users’ of the knowledge, information and data that such networks provide. Here, we focus on eight lessons across topics of climate change and variability, disturbance and resilience, drought and heat stress and synergies with remote sensing and modelling. In distilling the key lessons learned, we also identify where further research is needed to fill knowledge gaps and improve the utility and relevance of the outputs from OzFlux. Extreme climate variability across Australia and New Zealand (droughts and flooding rains) provides a natural laboratory for a global understanding of ecosystems in this time of accelerating climate change. As evidence of worsening global fire risk emerges, the natural ability of these ecosystems to recover from disturbances, such as fire and cyclones, provides lessons on adaptation and resilience to disturbance. Drought and heatwaves are common occurrences across large parts of the region and can tip an ecosystem\u27s carbon budget from a net CO2 sink to a net CO2 source. Despite such responses to stress, ecosystems at OzFlux sites show their resilience to climate variability by rapidly pivoting back to a strong carbon sink upon the return of favourable conditions. Located in under-represented areas, OzFlux data have the potential for reducing uncertainties in global remote sensing products, and these data provide several opportunities to develop new theories and improve our ecosystem models. The accumulated impacts of these lessons over the last 20 years highlights the value of long-term flux observations for natural and managed systems. A future vision for OzFlux includes ongoing and newly developed synergies with ecophysiologists, ecologists, geologists, remote sensors and modellers

Convective boundary layer budgets derived from aircraft data

Convective boundary layer (CBL) budgetting is regarded as a technique with the potential to estimate regionally integrated surface fluxes of trace gases, sensible and latent heat. We present two practical approaches to this technique and apply them to the experimental data, collected by flying vertical profiles over non-homogeneous terrain consisting mainly of beech forest and agricultural fields. Both approaches are quasi-one-dimensional. The first is to evaluate the budget for an air column whose top is set to CBL height and thus varies considerably in the course of a day. The second, presented here for the first time, evaluates the budget for an air column of fixed mass. We show that the latter approach requires fewer assumptions than the former, while producing results of at least comparable, and often better, accuracy. Error estimates typically yield 10-20% for fluxes of CO₂ and sensible heat, and 20-30% for latent heat. These estimates, however, do not include the uncertainty due to horizontal advection. We address this issue by showing how profile information above the CBL top can be exploited to estimate bounds for large-scale advection within the CBL. We test this idea on our data, with the ambiguous result that on some occasions the obtained bounds place realistic constraints on the magnitude of the advection, while on others they are too wide to be useful. (C) 2002 Elsevier Science B.V. All rights reserved

Combining two complementary micrometeorological methods to measure CH4 and N2O fluxes over pasture

New Zealand\u27s largest industrial sector is pastoral agriculture, giving rise to a large fraction of the country\u27s emissions of methane (CH4) and nitrous oxide (N2O). We designed a system to continuously measure CH4 and N2O fluxes at the field scale on two adjacent pastures that differed with respect to management. At the core of this system was a closed-cell Fourier transform infrared (FTIR) spectrometer, which measured the mole fractions of CH4, N2O and carbon dioxide (CO2) at two heights at each site. In parallel, CO2 fluxes were measured using eddy-covariance instrumentation. We applied two different micrometeorological ratio methods to infer the CH4 and N2O fluxes from their respective mole fractions and the CO2 fluxes. The first is a variant of the flux-gradient method, where it is assumed that the turbulent diffusivities of CH4 and N2O equal that of CO2. This method was reliable when the CO2 mole-fraction difference between heights was at least 4 times greater than the FTIR\u27s resolution of differences. For the second method, the temporal increases of mole fractions in the stable nocturnal boundary layer, which are correlated for concurrently emitted gases, are used to infer the unknown fluxes of CH4 and N2O from the known flux of CO2. This method was sensitive to contamination from trace gas sources other than the pasture of interest and therefore required careful filtering. With both methods combined, estimates of mean daily CH4 and N2O fluxes were obtained for 56 % of days at one site and 73 % at the other. Both methods indicated both sites as net sources of CH4 and N2O. Mean emission rates for 1 year at the unfertilised, winter-grazed site were 8.9 (±0.79) nmol CH4 m−2 s−1 and 0.38 (±0.018) nmol N2O m−2 s−1. During the same year, mean emission rates at the irrigated, fertilised and rotationally grazed site were 8.9 (±0.79) nmol CH4 m−2 s−1 and 0.58 (±0.020) nmol N2O m−2 s−1. At this site, the N2O emissions amounted to 1.21 (±0.15) % of the nitrogen inputs from animal excreta and fertiliser application