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The rare earth neodymium arguably exhibits the most complex magnetic ordering and series of magnetic phase transitions of the elements. Here we report the results of small-angle neutron scattering (SANS) measurements as a function of temperature and applied magnetic field to study magnetic correlations on nanometer length scales in Nd. The SANS measurements reveal the presence of previously unreported modulation vectors characterizing the ordered spin configuration which exhibit changes in magnitude and direction that are phase dependent. Between 5.9 and 7.6 K the additional modulation vector has a magnitude $Q$ =0.12 \AA$^{-1}$ and is primarily due to order of the Nd layers which contain a center of inversion. In this region of the phase diagram, the SANS measurements also identify a phase boundary at $\approx$1 T. An important feature of these modulation vectors is that they indicate the presence of nanometer length scale spin textures which are likely stabilized by frustrated Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions rather than a Dzyaloshinskii-Moriya (DM) exchange interaction., Comment: 16 pages, 15 figures

Destructive interference of electron hopping on the frustrated kagome lattice generates Dirac nodes, saddle points, and flat bands in the electronic structure. The latter provides the narrow bands and a peak in the density of states that can generate correlated electron behavior when the Fermi level lies within them. In the kagome metal CoSn, this alignment is not realized, and the compound is a Pauli paramagnet. Here we show that replacing part of the tin with indium (CoSn1-xInx) moves the Fermi energy into the flat band region, with support from band structure calculations, heat capacity measurements, and angle resolved photoemission spectroscopy. The associated instability results in the emergence of itinerant antiferromagnetism with a Neel temperature up to 30K. Long range magnetic order is confirmed by neutron diffraction measurements, which indicate an ordered magnetic moment of 0.1-0.2 Bohr magnetons per Co (for x = 0.4). Thus, CoSn1-xInx provides a rare example of an itinerant antiferromagnet with a small ordered moment. This work provides clear evidence that flat bands arising from frustrated lattices in bulk crystals represent a viable route to new physics, evidenced here by the emergence of magnetic order upon introducing a non-magnetic dopant into a non-magnetic kagome metal.

We investigate the static and ultrafast magneto-optical response of the hexagonal chiral helimagnet $Cr_{1/3}NbS_{2}$ above and below the helimagnetic ordering temperature. The presence of a magnetic easy plane contained within the crystallographic ab-plane is confirmed, while degenerate optical pump-probe experiments reveal significant differences in the dynamic between the parent, $NbS_{2}$, and Cr-intercalated compounds. Time resolved magneto-optical Kerr effect measurements show a two-step demagnetization process, where an initial, sub-ps relaxation and subsequent buildup ($\tau > 50$ ps) in the demagnetization dynamic scale similarly with increasing pump fluence. Despite theoretical evidence for partial gapping of the minority spin channel, suggestive of possible half metallicity in $Cr_{1/3}NbS_{2}$, such a long demagnetization dynamic likely results from spin lattice-relaxation as opposed to minority state blocking. However, comparison of the two-step demagnetization process in $Cr_{1/3}NbS_{2}$ with other 3d intercalated transition metal dichalcogenides reveals a behavior that is unexpected from conventional spin-lattice relaxation, and may be attributed to the complicated interaction of local moments with itinerant electrons in this material system., Comment: 20 pages, 10 figures, 1 Table

The Heisenberg triangular lattice quantum spin liquid and the phase transitions to nearby magnetic orders have received much theoretical attention, but clear experimental manifestations of these states are rare. This work investigates a new spin-half Yb$^{3+}$ delafossite material, KYbSe$_2$, whose inelastic neutron scattering spectra reveal a diffuse continuum with a sharp lower bound. Applying entanglement witnesses to the data reveals significant multipartite entanglement spread between its neighbors, and analysis of its magnetic exchange couplings shows close proximity to the triangular lattice Heisenberg quantum spin liquid. Key features of the data are reproduced by Schwinger-boson theory and tensor network calculations with a significant second-neighbor coupling $J_2$. The strength of the dynamical structure factor at the $K$ point shows a scaling collapse in $\hbar\omega/k_\mathrm{B}T$ down to 0.3 K, indicating a second-order quantum phase transition. Comparing this to previous theoretical work suggests that the proximate phase at larger $J_2$ is a gapped $\mathbb{Z}_2$ spin liquid, resolving a long-debated issue. We thus show that KYbSe$_2$ is close to a spin liquid phase, which in turn sheds light on the theoretical phase diagram itself., Comment: 6 pages main text, 6 pages methods, 7 pages supplemental information

We report a comprehensive investigation of Ln2NiIrO6 (Ln = La, Pr, Nd) using thermodynamic and transport properties, neutron powder diffraction, resonant inelastic x-ray scattering, and density functional theory (DFT) calculations to investigate the role of A-site cations on the magnetic interactions in this family of hybrid 3d-5d-4f compositions. Magnetic structure determination using neutron diffraction reveals antiferromagnetism for La2NiIrO6, a collinear ferrimagnetic Ni/Ir state that is driven to long range antiferromagnetism upon the onset of Nd ordering in Nd2NiIrO6, and a non-collinear ferrimagnetic Ni/Ir sublattice interpenetrated by a ferromagnetic Pr lattice for Pr2NiIrO6. For Pr2NiIrO6 heat capacity results reveal the presence of two independent magnetic sublattices and transport resistivity indicates insulating behavior and a conduction pathway that is thermally mediated. First principles DFT calculation elucidates the existence of the two independent magnetic sublattices within Pr2NiIrO6 and offers insight into the behavior in La2NiIrO6 and Nd2NiIrO6. Resonant inelastic x-ray scattering is consistent with spin-orbit coupling splitting the t2g manifold of octahedral Ir4+ into a Jeff = 1/2 and Jeff = 3/2 state for all members of the series considered.

The chiral helimagnet, $Cr_{1/3}NbS_{2}$, hosts exotic spin textures, whose influence on the magneto-transport properties, make this material an ideal candidate for future spintronic applications. To date, the interplay between macroscopic magnetic and transport degrees of freedom is believed to result from a reduction in carrier scattering following spin order. Here, we present electronic structure measurements through the helimagnetic transition temperature, $T_{C}$ that challenges this view by showing a Fermi surface comprised of strongly hybridized Nb- and Cr- derived electronic states, and spectral weight in proximity to the Fermi level to anomalously increases as temperature is lowered below $T_{C}$. These findings are rationalized on the basis of first principle, density functional theory calculations, which reveal a large nearest-neighbor exchange energy, suggesting the interaction between local spin moments and hybridized Nb- and Cr- derived itinerant states to go beyond the perturbative interaction of Ruderman-Kittel-Kasuya-Yosida, suggesting instead a mechanism rooted in a Hund's exchange interaction.

The magnetic excitation spectrum of the quantum magnet YbCl$_3$ is studied with inelastic neutron scattering. The spectrum exhibits an unusually sharp feature within a broad continuum, as well as conventional spin waves. By including both transverse and longitudinal channels of the neutron response, linear spin wave theory with a single Heisenberg interaction on the honeycomb lattice reproduces all of the key features in the spectrum. In particular, the broad continuum corresponds to a two-magnon contribution from the longitudinal channel, while the sharp feature within this continuum is identified as a Van Hove singularity in the joint density of states, which indicates the two-dimensional nature of the two-magnon continuum. We term these singularities magneto-caustic features in analogy with caustic features in ray optics where focused envelopes of light are generated when light passes through or reflects from curved or distorted surfaces. The experimental demonstration of a sharp Van Hove singularity in a two-magnon continuum is important because analogous features in potential two-spinon continua could distinguish quantum spin liquids from merely disordered systems. These results establish YbCl$_3$ as a nearly ideal two-dimensional honeycomb lattice material hosting strong quantum effects in the unfrustrated limit., Comment: 17 pages, 5 figures

It is noteworthy that chemical substitution of BaFe2As2 (122) with the noble elements Cu and Au gives superconductivity with a maximum Tc=3 K, while Ag substitution (Ag-122) stays antiferromagnetic. For Ba(Fe1-xTMx)2As2, TM= Cu, Au, or Ag, and by doping an amount of x=0.04, a-lattice parameter slightly increases (0.4%) for all TM dopants, while c-lattice decreases (-0.2%) for TM=Cu, barely moves (0.05%) for Au, and increases (0.2%) for Ag. Despite the naive expectation that the noble elements of group 11 should affect the quantum properties of 122 similarly, they produce significant differences extending to the character of the ground state. For the Ag-122 crystal, evidence of only a filamentary superconductivity is noted with pressure. However, for Au and Cu doping (x=0.03) we find a substantial improvement in the superconductivity, with Tc increasing to 7 K and 7.5 K, respectively, under 20 kbar of pressure. As with the ambient pressure results, the identity of the dopant therefore has a substantial impact on the ground state properties. Density functional theory calculations corroborate these results and find evidence of strong electronic scattering for Au and Ag dopants, while Cu is comparatively less disruptive to the 122 electronic structure.

We study the correlated quantum magnet, YbCl$_3$, with neutron scattering, magnetic susceptibility, and heat capacity measurements. The crystal field Hamiltonian is determined through simultaneous refinements of the inelastic neutron scattering and magnetization data. The ground state doublet is well isolated from the other crystal field levels and results in an effective spin-1/2 system with local easy plane anisotropy at low temperature. Cold neutron spectroscopy shows low energy excitations that are consistent with nearest neighbor antiferromagnetic correlations of reduced dimensionality., Comment: main paper plus supplemental information

MnBi2Te4 has attracted tremendous research interest recently as the first intrinsic antiferromagnetic (AF) topological insulator. It undergoes a long-range AF order at TN = 24 K accompanied with a cusp-like anomaly in the metallic resistivity. Here, we studied the effect of hydrostatic pressure on its electrical transport properties up to 12.5 GPa by using a cubic anvil cell apparatus. We find that TN determined from the resistivity anomaly first increases slightly with pressure and then decreases until vanished completely at ~7 GPa. Intriguingly, its resistivity rho(T) is enhanced gradually by pressure, and evolves from metallic to activated behavior as the AF order is suppressed. From the Hall resistivity measurements, we confirm that the n-type carriers dominate the transport properties and the carrier density is raised by pressure. In addition, the critical magnetic field Hc1 ~3.3 T at 0 GPa for the spin-flop transition to the canted AF state is found to increase to ~ 5 T and 7.5 T at 1 and 3 GPa. High-pressure XRD evidenced no structural transition up to 12.8 GPa. Based on the Hall resistivity results and first-principles calculations, we proposed that the intralayer direct AF interactions are strengthened by pressure and the competition between AF and FM interactions not only prevents long-range magnetic order but also promotes charge carrier localizations through enhance magnetic fluctuations at high pressures., Comment: 12 pages, 4 figures

Climate zones are an established part of urban energy management. California is divided into 16 climate zones, for example, and each zone imposes different energy-related building standards -- so for example different zones have different roofing standards. Although developed long ago, these zones continue to shape urban policy. New climate zone definitions are now emerging in urban settings. Both the County of Los Angeles and the US Department of Energy have recently adopted refined zones -- for restructuring electricity rates, and for scoring home energy efficiency. Defining new zones is difficult, however, because climates depend on variables that are difficult to map. In this paper we show that Los Angeles climate zones can be inferred from energy use data. We have studied residential electricity consumption (EC) patterns in Los Angeles data. This data permits identification of geographical zones whose EC patterns are characteristically different from surrounding regions. These regions have topographic boundaries in Los Angeles consistent with microclimates. Specifically, our key finding is that EC-microclimate zones -- regions in which block groups have similar Electricity Consumption patterns over time -- resemble environmental microclimate zones. Because they conform to microclimates, but are based directly on EC data, these zones can be useful in urban energy management. We also show how microclimates and household electricity consumption in Los Angeles are strongly linked to socioeconomic variables like income and population density. These links permit data-driven development of microclimate zones that support zone-specific modeling and improved energy policy.

The physical properties of the spinel LiGaCr4S8 have been studied with neutron diffraction, X-ray diffraction, magnetic susceptibility and heat capacity measurements. The neutron diffraction and synchrotron X-ray diffraction data reveal negative thermal expansion (NTE) below 111(4) K. The magnetic susceptibility deviates from Curie-Weiss behavior with the onset of NTE. At low temperature a broad peak in the magnetic susceptibility at 10.3(3) K is accompanied by the return of normal thermal expansion. First principles calculations find a strong coupling between the lattice and the simulated magnetic ground state. These results indicate strong magnetoelastic coupling in LiGaCr4S8.

Prior to the superconducting transition at Tc = 2.3 K, Mo3Sb7 undergoes a symmetry-lowering, cubic-to-tetragonal structural transition at Ts = 53 K. We have monitored the pressure dependence of these two transitions by measuring the resistivity of Mo3Sb7 single crystals under various hydrostatic pressures up to 15 GPa. The application of external pressure enhances Tc but suppresses Ts until Pc ~ 10 GPa, above which a pressure-induced first order structural transition takes place and is manifested by the phase coexistence in the pressure range 8 < P < 12 GPa. The cubic phase above 12 GPa is also found to be superconducting with a higher Tc =6 K that decreases slightly with further increasing pressure. The variations with pressure of Tc and Ts satisfy the Bilbro-McMillan equation, i.e. Tc^nTs^(1-n) = constant, thus suggesting the competition of superconductivity with the structural transition that has been proposed to be accompanied with a spin-gap formation at Ts. This scenario is supported by our first-principles calculations which imply the plausible importance of magnetism that competes with the superconductivity in Mo3Sb7., Comment: 6 figures, Submitted to PRB

Layered thallium copper chalcogenides can form single, double, or triple layers of Cu-Ch separated by Tl sheets. Here we report on the preparation and properties of Tl-based materials of TlCu2Se2, TlCu4S3, TlCu4Se3 and TlCu6S4, and compare to reports on layered ACu2nChn+1 materials with A = Ba, K, Rb, and Cs, and Ch = S, Se. Having no long-range magnetism for these materials is quite surprising considering the possibilities of inter- and intra-layer exchange interactions through Cu 3d, and we measure by magnetic susceptibility and confirm by neutron diffraction. First principles density-functional theory calculations for both the single-layer TlCu2Se2 (isostructural to the 122 iron-based superconductors) and the double-layer TlCu4Se3 suggest a lack of Fermi-level spectral weight that is needed to drive a magnetic or superconducting instability. The electronic structure calculations show a much greater likelihood of magnetism for multiple structural layers with Fe., Comment: 8 pages

The high-temperature ferromagnet MnBi continues to receive attention as a candidate to replace rare-earth-containing permanent magnets in applications above room temperature. This is due to a high Curie temperature, large magnetic moments, and a coercivity that increases with temperature. The synthesis of MnBi also allows for crystals that are free of interstitial Mn, enabling more direct access to the key interactions underlying the physical properties of binary Mn-based ferromagnets. In this work, we use inelastic neutron scattering to measure the spin waves of MnBi in order to characterize the magnetic exchange at low temperature. Consistent with the spin reorientation that occurs below 140 K, we do not observe a spin gap in this system above our experimental resolution. A Heisenberg model was fit to the spin wave data in order to characterize the long-range nature of the exchange. It was found that interactions up to sixth nearest neighbor are required to fully parameterize the spin waves. Surprisingly, the nearest-neighbor term is antiferromagnetic, and the realization of a ferromagnetic ground state relies on the more numerous ferromagnetic terms beyond nearest neighbor, suggesting that the ferromagnetic ground state arises as a consequence of the long-ranged interactions in the system., Comment: 5 pages, 2 figures, 2 tables; Supplemental Information has 2 pages, 1 figure

Structure and composition of iron chalcogenides have a delicate relationship with magnetism and superconductivity. In this report we investigate the iron sulfide layered tetragonal phase (t-FeS), and compare with three-dimensional hexagonal phase (h-FeS). X-ray diffraction reveals the absence of structural transitions for both t- and h-FeS below room temperature, and gives phase compositions of Fe0.93(1)S and Fe0.84(1)S, respectively, for the samples studied here. The a lattice parameter of bigger than 3.68 A is significant for causing bulk superconductivity in iron sulfide, which is controlled by composition and structural details such as iron stoichiometry and concentration of vacancy. While h-FeS with a = 3.4436(1) A has magnetic ordering well above room temperature, our t-FeS with a =3.6779(8)A shows filamentary superconductivity below Tc = 4 K with less than 15% superconducting volume fraction. Also for t-FeS, the magnetic susceptibility shows an anomaly at ~ 15 K, and neutron diffraction reveals a commensurate antiferromagnetic ordering below TN = 116 K, with wave vector km= (0.25,0.25,0) and 0.46(2)uB/Fe. Although two synthesis routes are used here to stabilize t vs h crystal structures (hydrothermal vs solid-state methods), both FeS compounds order on two length-scales of ~1000 nm sheets or blocks and ~ 20 nm smaller particles, shown by neutron scattering. First principles calculations reveal a high sensitivity to the structure for the electronic and magnetic properties in t-FeS, predicting marginal antiferromagnetic instability for our compound (sulfur height of zS ~0.252) with an ordering energy of ~11 meV/Fe, while h-FeS is magnetically stable., Comment: 14 pages, 7 figures

Within the BaFe2As2 crystal lattice, we partially substitute thallium for barium and report the effects of interlayer coupling in Ba1-xTlxFe2As2 crystals. We demonstrate the unusual effects of magneto-elastic coupling and charge doping in this iron-arsenide material, whereby Neel temperature rises with small x, and then falls with additional x. Specifically, we find that Neel and structural transitions in BaFe2As2 (TN =Ts= 133 K) increase for x=0.05 (TN = 138 K, Ts = 140 K) from magnetization, heat capacity, resistivity, and neutron diffraction measurements. Evidence from single crystal X-ray diffraction and first principles calculations attributes the stronger magnetism in x=0.05 to magneto-elastic coupling related to the shorter intraplanar Fe-Fe bond distance. With further thallium substitution, the transition temperatures decrease for x = 0.09 (TN = Ts = 131 K), and this is due to charge doping. We illustrate that small changes related to 3d transition-metal state can have profound effects on magnetism., Comment: 10 pages; 4 figures

The structural and the magnetic properties of CeCu$_{6-x}$Ag$_x$ (0 $\leq$ $x$ $\leq$ 0.85) and CeCu$_{6-x}$Pd$_x$ (0 $\leq$ $x$ $\leq$ 0.4) have been studied using neutron diffraction, resonant ultrasound spectroscopy (RUS), heat capacity, x-ray diffraction measurements and first principles calculations. The structural and magnetic phase diagrams of CeCu$_{6-x}$Ag$_x$ and CeCu$_{6-x}$Pd$_x$ as a function of Ag/Pd composition are reported. The end member, CeCu$_6$, undergoes a structural phase transition from an orthorhombic ($Pnma$) to a monoclinic ($P2_1/c$) phase at 240 K. In CeCu$_{6-x}$Ag$_x$, the structural phase transition temperature (${T_{s}}$) decreases linearly with Ag concentration and extrapolates to zero at $x_{S}$ $\approx$ 0.1. The structural transition in CeCu$_{6-x}$Pd$_x$ remains unperturbed with Pd substitution within the range of our study. The lattice constant $b$ slightly decreases with Ag/Pd doping, whereas, $a$ and $c$ increase with an overall increase in the unit cell volume. Both systems, CeCu$_{6-x}$Ag$_x$ and CeCu$_{6-x}$Pd$_x$, exhibit a magnetic quantum critical point (QCP), at $x$ $\approx$ 0.2 and $x$ $\approx$ 0.05 respectively. Near the QCP, long range antiferromagnetic ordering takes place at an incommensurate wave vector ($\delta_1$ 0 $\delta_2$) where $\delta_1 \sim 0.62$, $\delta_2 \sim 0.25$, $x$ = 0.125 for CeCu$_{6-x}$Pd$_x$ and $\delta_1 \sim 0.64$, $\delta_2 \sim 0.3$, $x$ = 0.3 for CeCu$_{6-x}$Ag$_x$. The magnetic structure consists of an amplitude modulation of the Ce-moments which are aligned along the $c$-axis of the orthorhombic unit cell., Comment: 13 pages, 9 figures

Single crystals of (Nd1-xCex)2Fe14B are grown out of Fe-(Nd,Ce) flux. Chemical and structural analysis of the crystals indicates that (Nd1-xCex)2Fe14B forms a solid solution until at least x = 0.38 with a Vegard-like variation of the lattice constants with x. Refinements of single crystal neutron diffraction data indicate that Ce has a slight site preference (7:3) for the 4g rare earth site over the 4f site. Magnetization measurements show that for x = 0.38 the saturation magnetization at 400 K, a temperature important to applications, falls from 29.8 for the parent Nd2Fe14B to 27.6 (mu)B/f.u., the anisotropy field decreases from 5.5 T to 4.7 T, and the Curie temperature decreases from 586 to 543 K. First principles calculations carried out within density functional theory are used to explain the decrease in magnetic properties due to Ce substitution. Though the presence of the lower-cost and more abundant Ce slightly affects these important magnetic characteristics, this decrease is not large enough to affect a multitude of applications. Ce-substituted Nd2Fe14B is therefore a potential high-performance permanent magnet material with substantially reduced Nd content., Comment: 11 Pages, 8 figures, 5 tables

The chiral helimagnet Cr1/3NbS2 has been investigated by magnetic, transport and thermal properties measurements on single crystals and by first principles electronic structure calculations. From the measured field and temperature dependence of the magnetization for fields applied perpendicular to the c axis, the magnetic phase diagram has been constructed in the vicinity of the phase transitions. A transition from a paramagnetic to a magnetically ordered phase occurs near 120 K. With increasing magnetic field and at temperatures below 120 K, this material undergoes transitions from a helimagnetic to a soliton-lattice phase near 900 Oe, and then to a ferromagnetic phase near 1300 Oe. The transitions are found to strongly affect the electrical transport. The resistivity decreases sharply upon cooling near 120 K, and the spin reorientation from the helimagnetic ground state to the commensurate ferromagnetic state is evident in the magnetoresistance. At high fields a large magnetoresistance (55 % at 140 kOe) is observed near the magnetic transition temperature. Heat capacity and electronic structure calculations show the density of states at the Fermi level is low in the magnetically ordered state. Effects of spin fluctuations are likely important in understanding the behavior of Cr1/3NbS2 near and above the magnetic ordering transitions.

The noncentrosymmetric ferromagnet Cr11Ge19 has been investigated by electrical transport, AC and DC magnetization, heat capacity, x-ray diffraction, resonant ultrasound spectroscopy, and first principles electronic structure calculations. Complex itinerant ferromagnetism in this material is indicated by nonlinearity in conventional Arrott plots, unusual behavior of AC susceptibility, and a weak heat capacity anomaly near the Curie temperature (88 K). The inclusion of spin wave excitations was found to be important in modeling the low temperature heat capacity. The temperature dependence of the elastic moduli and lattice constants, including negative thermal expansion along the c axis at low temperatures, indicate strong magneto-elastic coupling in this system. Calculations show strong evidence for itinerant ferromagnetism and suggest a noncollinear ground state may be expected.

Using first principles calculations, we analyze structural and magnetic trends as a function of charge doping and pressure in BaFe$_2$As$_2$, and compare to experimentally established facts. We find that density functional theory, while accurately reproducing the structural and magnetic ordering at ambient pressure, fails to reproduce some structural trends as pressure is increased. Most notably, the Fe-As bondlength which is a gauge of the magnitude of the magnetic moment, $\mu$, is rigid in experiment, but soft in calculation, indicating residual local Coulomb interactions. By calculating the magnitude of the magnetic ordering energy, we show that the disruption of magnetic order as a function of pressure or doping can be qualitatively reproduced, but that in calculation, it is achieved through diminishment of $|\mu|$, and therefore likely does not reflect the same physics as detected in experiment. We also find that the strength of the stripe order as a function of doping is strongly site-dependent: magnetism decreases monotonically with the number of electrons doped at the Fe site, but increases monotonically with the number of electrons doped at the Ba site. Intra-planar magnetic ordering energy (the difference between checkerboard and stripe orderings) and interplanar coupling both follow a similar trend. We also investigate the evolution of the orthorhombic distortion, $e=(a-b)/(a+b),$ as a function of $\mu$, and find that in the regime where experiment finds a linear relationship, our calculations are impossible to converge, indicating that in density functional theory, the transition is first order, signalling anomalously large higher order terms in the Landau functional.