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- ItemOrdered states in the Kitaev-Heisenberg model: From 1D chains to 2D honeycomb(London : Nature Publishing Group, 2018) Agrapidis, Cliò Efthimia; van den Brink, Jeroen; Nishimoto, SatoshiWe study the ground state of the 1D Kitaev-Heisenberg (KH) model using the density-matrix renormalization group and Lanczos exact diagonalization methods. We obtain a rich ground-state phase diagram as a function of the ratio between Heisenberg (J = cosϕ) and Kitaev (K = sinϕ) interactions. Depending on the ratio, the system exhibits four long-range ordered states: ferromagnetic-z, ferromagnetic-xy, staggered-xy, Néel-z, and two liquid states: Tomonaga-Luttinger liquid and spiral-xy. The two Kitaev points ϕ=π2 and φ=3π2 are singular. The ϕ-dependent phase diagram is similar to that for the 2D honeycomb-lattice KH model. Remarkably, all the ordered states of the honeycomb-lattice KH model can be interpreted in terms of the coupled KH chains. We also discuss the magnetic structure of the K-intercalated RuCl3, a potential Kitaev material, in the framework of the 1D KH model. Furthermore, we demonstrate that the low-lying excitations of the 1D KH Hamiltonian can be explained within the combination of the known six-vertex model and spin-wave theory.
- ItemStrongly frustrated triangular spin lattice emerging from triplet dimer formation in honeycomb Li2IrO3(London : Nature Publishing Group, 2016) Nishimoto, Satoshi; Katukuri, Vamshi M.; Yushankhai, Viktor; Stoll, Hermann; Rößler, Ulrich K.; Hozoi, Liviu; Rousochatzakis, Ioannis; van den Brink, JeroenIridium oxides with a honeycomb lattice have been identified as platforms for the much anticipated Kitaev topological spin liquid: the spin-orbit entangled states of Ir4+ in principle generate precisely the required type of anisotropic exchange. However, other magnetic couplings can drive the system away from the spin-liquid phase. With this in mind, here we disentangle the different magnetic interactions in Li2IrO3, a honeycomb iridate with two crystallographically inequivalent sets of adjacent Ir sites. Our ab initio many-body calculations show that, while both Heisenberg and Kitaev nearest-neighbour couplings are present, on one set of Ir–Ir bonds the former dominates, resulting in the formation of spin-triplet dimers. The triplet dimers frame a strongly frustrated triangular lattice and by exact cluster diagonalization we show that they remain protected in a wide region of the phase diagram.
- ItemPurely antiferromagnetic magnetoelectric random access memory(London : Nature Publishing Group, 2017) Kosub, Tobias; Kopte, Martin; Hühne, Ruben; Appel, Patrick; Shields, Brendan; Maletinsky, Patrick; Hübner, René; Liedke, Maciej Oskar; Fassbender, Jürgen; Schmidt, Oliver G.; Makarov, DenysMagnetic random access memory schemes employing magnetoelectric coupling to write binary information promise outstanding energy efficiency. We propose and demonstrate a purely antiferromagnetic magnetoelectric random access memory (AF-MERAM) that offers a remarkable 50-fold reduction of the writing threshold compared with ferromagnet-based counterparts, is robust against magnetic disturbances and exhibits no ferromagnetic hysteresis losses. Using the magnetoelectric antiferromagnet Cr2O3, we demonstrate reliable isothermal switching via gate voltage pulses and all-electric readout at room temperature. As no ferromagnetic component is present in the system, the writing magnetic field does not need to be pulsed for readout, allowing permanent magnets to be used. Based on our prototypes, we construct a comprehensive model of the magnetoelectric selection mechanisms in thin films of magnetoelectric antiferromagnets, revealing misfit induced ferrimagnetism as an important factor. Beyond memory applications, the AF-MERAM concept introduces a general all-electric interface for antiferromagnets and should find wide applicability in antiferromagnetic spintronics.
- ItemSpin-orbit-driven magnetic structure and excitation in the 5d pyrochlore Cd2Os2O7(London : Nature Publishing Group, 2016) Calder, S.; Vale, J.G.; Bogdanov, N.A.; Liu, X.; Donnerer, C.; Upton, M.H.; Casa, D.; Said, A.H.; Lumsden, M.D.; Zhao, Z.; Yan, J.-Q.; Mandrus, D.; Nishimoto, S.; van den Brink, J.; Hill, J.P.; McMorrow, D.F.; Christianson, A.D.Much consideration has been given to the role of spin-orbit coupling (SOC) in 5d oxides, particularly on the formation of novel electronic states and manifested metal-insulator transitions (MITs). SOC plays a dominant role in 5d5 iridates (Ir4þ), undergoing MITs both concurrent (pyrochlores) and separated (perovskites) from the onset of magnetic order. However, the role of SOC for other 5d configurations is less clear. For example, 5d3 (Os5þ) systems are expected to have an orbital singlet with reduced effective SOC. The pyrochlore Cd2Os2O7 nonetheless exhibits a MIT entwined with magnetic order phenomenologically similar to pyrochlore iridates. Here, we resolve the magnetic structure in Cd2Os2O7 with neutron diffraction and then via resonant inelastic X-ray scattering determine the salient electronic and magnetic energy scales controlling the MIT. In particular, SOC plays a subtle role in creating the electronic ground state but drives the magnetic order and emergence of a multiple spin-flip magnetic excitation.
- ItemKitaev exchange and field-induced quantum spin-liquid states in honeycomb α-RuCl3(London : Nature Publishing Group, 2016) Yadav, Ravi; Bogdanov, Nikolay A.; Katukuri, Vamshi M.; Nishimoto, Satoshi; van den Brink, Jeroen; Hozoi, LiviuLarge anisotropic exchange in 5d and 4d oxides and halides open the door to new types of magnetic ground states and excitations, inconceivable a decade ago. A prominent case is the Kitaev spin liquid, host of remarkable properties such as protection of quantum information and the emergence of Majorana fermions. Here we discuss the promise for spin-liquid behavior in the 4d5 honeycomb halide α-RuCl3. From advanced electronic-structure calculations, we find that the Kitaev interaction is ferromagnetic, as in 5d5 iridium honeycomb oxides, and indeed defines the largest superexchange energy scale. A ferromagnetic Kitaev coupling is also supported by a detailed analysis of the field-dependent magnetization. Using exact diagonalization and density-matrix renormalization group techniques for extended Kitaev-Heisenberg spin Hamiltonians, we find indications for a transition from zigzag order to a gapped spin liquid when applying magnetic field. Our results offer a unified picture on recent magnetic and spectroscopic measurements on this material and open new perspectives on the prospect of realizing quantum spin liquids in d5 halides and oxides in general.
- ItemLinear magnetoresistance due to multiple-electron scattering by low-mobility islands in an inhomogeneous conductor(London : Nature Publishing Group, 2012) Kozlova, N .V.; Mori, N.; Makarovsky, O.; Eaves, L.; Zhuang, Q.D.; Krier, A.; Patanè, A.Linear transverse magnetoresistance is commonly observed in many material systems including semimetals, narrow band-gap semiconductors, multi-layer graphene and topological insulators. It can originate in an inhomogeneous conductor from distortions in the current paths induced by macroscopic spatial fluctuations in the carrier mobility and it has been explained using a phenomenological semiclassical random resistor network model. However, the link between the linear magnetoresistance and the microscopic nature of the electron dynamics remains unknown. Here we demonstrate how the linear magnetoresistance arises from the stochastic behaviour of the electronic cycloidal trajectories around low-mobility islands in high-mobility inhomogeneous conductors and that this process is only weakly affected by the applied electric field strength. Also, we establish a quantitative link between the island morphology and the strength of linear magnetoresistance of relevance for future applications.
- ItemDistinct itinerant spin-density waves and local-moment antiferromagnetism in an intermetallic ErPd2 Si2 single crystal(London : Nature Publishing Group, 2015) Li, Hai-Feng; Cao, Chongde; Wildes, Andrew; Schmidt, Wolfgang; Schmalzl, Karin; Hou, Binyang; Regnault, Louis-Pierre; Zhang, Cong; Meuffels, Paul; Löser, Wolfgang; Roth, GeorgIdentifying the nature of magnetism, itinerant or localized, remains a major challenge in condensed-matter science. Purely localized moments appear only in magnetic insulators, whereas itinerant moments more or less co-exist with localized moments in metallic compounds such as the doped-cuprate or the iron-based superconductors, hampering a thorough understanding of the role of magnetism in phenomena like superconductivity or magnetoresistance. Here we distinguish two antiferromagnetic modulations with respective propagation wave vectors at Q± = (H ± 0.557(1), 0, L ± 0.150(1)) and QC = (H ± 0.564(1), 0, L), where (H, L) are allowed Miller indices, in an ErPd2Si2 single crystal by neutron scattering and establish their respective temperature- and field-dependent phase diagrams. The modulations can co-exist but also compete depending on temperature or applied field strength. They couple differently with the underlying lattice albeit with associated moments in a common direction. The Q± modulation may be attributed to localized 4f moments while the QC correlates well with itinerant conduction bands, supported by our transport studies. Hence, ErPd2Si2 represents a new model compound that displays clearly-separated itinerant and localized moments, substantiating early theoretical predictions and providing a unique platform allowing the study of itinerant electron behavior in a localized antiferromagnetic matrix.
- ItemModulations in martensitic Heusler alloys originate from nanotwin ordering(London : Nature Publishing Group, 2018) Gruner, M.E.; Niemann, R.; Entel, P.; Pentcheva, R.; Rößler, U.K.; Nielsch, K.; Fähler, S.Heusler alloys exhibiting magnetic and martensitic transitions enable applications like magnetocaloric refrigeration and actuation based on the magnetic shape memory effect. Their outstanding functional properties depend on low hysteresis losses and low actuation fields. These are only achieved if the atomic positions deviate from a tetragonal lattice by periodic displacements. The origin of the so-called modulated structures is the subject of much controversy: They are either explained by phonon softening or adaptive nanotwinning. Here we used large-scale density functional theory calculations on the Ni2MnGa prototype system to demonstrate interaction energy between twin boundaries. Minimizing the interaction energy resulted in the experimentally observed ordered modulations at the atomic scale, it explained that a/b twin boundaries are stacking faults at the mesoscale, and contributed to the macroscopic hysteresis losses. Furthermore, we found that phonon softening paves the transformation path towards the nanotwinned martensite state. This unified both opposing concepts to explain modulated martensite.
- ItemCoupled multiple-mode theory for s± pairing mechanism in iron based superconductors(London : Nature Publishing Group, 2016) Kiselev, M.N.; Efremov, D.V.; Drechsler, S.L.; van den Brink, Jeroen; Kikoin, K.We investigate the interplay between the magnetic and the superconducting degrees of freedom in unconventional multi-band superconductors such as iron pnictides. For this purpose a dynamical mode-mode coupling theory is developed based on the coupled Bethe-Salpeter equations. In order to investigate the region of the phase diagram not too far from the tetracritical point where the magnetic spin density wave, (SDW) and superconducting (SC) transition temperatures coincide, we also construct a Ginzburg-Landau functional including both SC and SDW fluctuations in a critical region above the transition temperatures. The fluctuation corrections tend to suppress the magnetic transition, but in the superconducting channel the intraband and interband contribution of the fluctuations nearly compensate each other.
- ItemHigh pressure die casting of Fe-based metallic glass(London : Nature Publishing Group, 2016) Ramasamy, Parthiban; Szabo, Attila; Borzel, Stefan; Eckert, Jürgen; Stoica, Mihai; Bárdos, AndrásSoft ferromagnetic Fe-based bulk metallic glass key-shaped specimens with a maximum and minimum width of 25.4 and 5 mm, respectively, were successfully produced using a high pressure die casting (HPDC) method, The influence of die material, alloy temperature and flow rate on the microstructure, thermal stability and soft ferromagnetic properties has been studied. The results suggest that a steel die in which the molten metal flows at low rate and high temperature can be used to produce completely glassy samples. This can be attributed to the laminar filling of the mold and to a lower heat transfer coefficient, which avoids the skin effect in the steel mold. In addition, magnetic measurements reveal that the amorphous structure of the material is maintained throughout the key-shaped samples. Although it is difficult to control the flow and cooling rate of the molten metal in the corners of the key due to different cross sections, this can be overcome by proper tool geometry. The present results confirm that HPDC is a suitable method for the casting of Fe-based bulk glassy alloys even with complex geometries for a broad range of applications.