2019, Yadav, R., Eldeeb, M.S., Ray, R., Aswartham, S., Sturza, M.I., Nishimoto, S., Van Den Brink, J., Hozoi, L.

Novel functionalities may be achieved in oxide electronics by appropriate stacking of planar oxide layers of different metallic species, MOp and M′Oq. The simplest mechanism allowing the tailoring of the electronic states and physical properties of such heterostructures is of electrostatic nature - charge imbalance between the M and M′ cations. Here we clarify the effect of interlayer electrostatics on the anisotropic Kitaev exchange in H3LiIr2O6, a recently proposed realization of the Kitaev spin liquid. By quantum chemical calculations, we show that the precise position of H+ cations between magnetically active [LiIr2O6]3- honeycomb-like layers has a strong impact on the magnitude of Kitaev interactions. In particular, it is found that stacking with straight interlayer O-H-O links is detrimental to in-plane Kitaev exchange since coordination by a single H-ion of the O ligand implies an axial Coulomb potential at the O site and unfavorable polarization of the O 2p orbitals mediating the Ir-Ir interactions. Our results therefore provide valuable guidelines for the rational design of Kitaev quantum magnets, indicating unprecedented Kitaev interactions of ≈40 meV if the linear interlayer linkage is removed.

2021, Nikitin, S.E., Nishimoto, S., Fan, Y., Wu, J., Wu, L.S., Sukhanov, A.S., Brando, M., Pavlovskii, N.S., Xu, J., Vasylechko, L., Yu, R., Podlesnyak, A.

[No abstract available]

2017, Grafe, H.-J., Nishimoto, S., Iakovleva, M., Vavilova, E., Spillecke, L., Alfonsov, A., Sturza, M.-I., Wurmehl, S., Nojiri, H., Rosner, H., Richter, J., Rößler, U.K., Drechsler, S.-L., Kataev, V., Büchner, B.

Modern theories of quantum magnetism predict exotic multipolar states in weakly interacting strongly frustrated spin-1/2 Heisenberg chains with ferromagnetic nearest neighbor (NN) inchain exchange in high magnetic fields. Experimentally these states remained elusive so far. Here we report strong indications of a magnetic field-induced nematic liquid arising above a field of ~13 T in the edge-sharing chain cuprate LiSbCuO4 ≡ LiCuSbO4. This interpretation is based on the observation of a field induced spin-gap in the measurements of the 7Li NMR spin relaxation rate T1−1 as well as a contrasting field-dependent power-law behavior of T1−1 vs. T and is further supported by static magnetization and ESR data. An underlying theoretical microscopic approach favoring a nematic scenario is based essentially on the NN XYZ exchange anisotropy within a model for frustrated spin-1/2 chains and is investigated by the DMRG technique. The employed exchange parameters are justified qualitatively by electronic structure calculations for LiCuSbO4.

2021, Nikitin, S., Nishimoto, S., Fan, Y., Wu, J., Wu, L., Sukhanov, A., Brando, M., Pavlovskii, N., Xu, J., Vasylechko, L., Yu, R., Podlesnyak, A.

The Heisenberg antiferromagnetic spin-1/2 chain, originally introduced almost a century ago, is one of the best studied models in quantum mechanics due to its exact solution, but nevertheless it continues to present new discoveries. Its low-energy physics is described by the Tomonaga-Luttinger liquid of spinless fermions, similar to the conduction electrons in one-dimensional metals. In this work we investigate the Heisenberg spin-chain compound YbAlO3 and show that the weak interchain coupling causes Umklapp scattering between the left- and right-moving fermions and stabilizes an incommensurate spin-density wave order at q = 2kF under finite magnetic fields. These Umklapp processes open a route to multiple coherent scattering of fermions, which results in the formation of satellites at integer multiples of the incommensurate fundamental wavevector Q = nq. Our work provides surprising and profound insight into bandstructure control for emergent fermions in quantum materials, and shows how neutron diffraction can be applied to investigate the phenomenon of coherent multiple scattering in metals through the proxy of quantum magnetic systems.

2023, Xie, Tao, Eberharter, A. A., Xing, Jie, Nishimoto, S., Brando, M., Khanenko, P., Sichelschmidt, J., Turrini, A. A., Mazzone, D. G., Naumov, P. G., Sanjeewa, L. D., Harrison, N., Sefat, Athena S., Normand, B., Läuchli, A. M., Podlesnyak, A., Nikitin, S. E.

Fifty years after Anderson’s resonating valence-bond proposal, the spin-1/2 triangular-lattice Heisenberg antiferromagnet (TLHAF) remains the ultimate platform to explore highly entangled quantum spin states in proximity to magnetic order. Yb-based delafossites are ideal candidate TLHAF materials, which allow experimental access to the full range of applied in-plane magnetic fields. We perform a systematic neutron scattering study of CsYbSe2, first proving the Heisenberg character of the interactions and quantifying the second-neighbor coupling. We then measure the complex evolution of the excitation spectrum, finding extensive continuum features near the 120°-ordered state, throughout the 1/3-magnetization plateau and beyond this up to saturation. We perform cylinder matrix-product-state (MPS) calculations to obtain an unbiased numerical benchmark for the TLHAF and spectacular agreement with the experimental spectra. The measured and calculated longitudinal spectral functions reflect the role of multi-magnon bound and scattering states. These results provide valuable insight into unconventional field-induced spin excitations in frustrated quantum materials.

2019, Reja, S., Nishimoto, S.

Shedding light on the nature of spin-triplet superconductivity has been a long-standing quest in condensed matter physics since the discovery of superfluidity in liquid 3 He. Nevertheless, the mechanism of spin-triplet pairing is much less understood than that of spin-singlet pairing explained by the Bardeen-Cooper-Schrieffer theory or even observed in high-temperature superconductors. Here we propose a versatile mechanism for spin-triplet superconductivity which emerges through a melting of macroscopic spin polarization stabilized in weakly coupled odd-gon (e.g., triangle, pentagon, etc) systems. We demonstrate the feasibility of sustaining spin-triplet superconductivity with this mechanism by considering a new class of quasi-one-dimensional superconductors A 2 Cr 3 As 3 (A = K, Rb, and Cs). Furthermore, we suggest a simple effective model to easily illustrate the adaptability of the mechanism to general systems consisting of odd-gon units. This mechanism provides a rare example of superconductivity from on-site Coulomb repulsion.

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.

2018, Kuzian, R.O., Klingeler, R., Lorenz, W.E.A., Wizent, N., Nishimoto, S., Nitzsche, U., Rosner, H., Milosavljevic, D., Hozoi, L., Yadav, R., Richter, J., Hauser, A., Geck, J., Hayn, R., Yushankhai, V., Siurakshina, L., Monney, C., Schmitt, T., Schmitt, T., Roth, G., Ito, T., Yamaguchi, H., Matsuda, M., Johnston, S., Málek, J., Drechsler, S.-L.

In a recent work devoted to the magnetism of Li2CuO2, Shu et al (2017 New J. Phys. 19, 023026) have proposed a 'simplified' unfrustrated microscopic model that differs considerably from the models refined through decades of prior work. We show that the proposed model is at odds with known experimental data, including the reported magnetic susceptibility χ(T) data up to 550 K. Using an 8th order high-temperature expansion for χ(T), we show that the experimental data for Li2CuO2 are consistent with the prior model derived from inelastic neutron scattering studies. We also establish the T-range of validity for a Curie–Weiss law for the real frustrated magnetic system. We argue that the knowledge of the long-range ordered magnetic structure for T < T N and of χ(T) in a restricted T-range provides insufficient information to extract all of the relevant couplings in frustrated magnets; the saturation field and INS data must also be used to determine several exchange couplings, including the weak but decisive frustrating antiferromagnetic interchain couplings.