Search

Kagome metals with van Hove singularities (VHSs) near the Fermi level can host intriguing quantum phenomena, including chiral loop currents, electronic nematicity, and unconventional superconductivity. However, unconventional magnetic states driven by VHSs, such as spin-density waves (SDWs), have yet to be observed experimentally in kagome metals. Here, we present a comprehensive investigation of the magnetic and electronic structure of the layered kagome metal CeTi3Bi4, where the Ti kagome electronic structure interacts with a magnetic sublattice of Ce3+ Jeff = 1/2 moments. Our neutron diffraction measurements reveal an incommensurate SDW ground state of the Ce3+ Jeff = 1/2 moments, which notably coexists with commensurate antiferromagnetic order across most of the temperature-field phase diagram. The commensurate component is preferentially suppressed by both thermal fluctuations and external magnetic fields, resulting in a rich phase diagram that includes an intermediate single-Q SDW phase. First-principles calculations and angle-resolved photoemission spectroscopy (ARPES) measurements identify VHSs near the Fermi level, with the observed magnetic propagation vectors connecting their high density of states, strongly suggesting a VHS-assisted SDW in CeTi3Bi4. These findings establish the rare-earth Kagome metals LnTi3Bi4 as a model platform where characteristic electronic structure of the kagome lattice plays a pivotal role in magnetic order., Comment: 20 pages, 4 figures, SI not included

The kagome motif is a versatile platform for condensed matter physics, hosting rich interactions between magnetic, electronic, and structural degrees of freedom. In recent years, the discovery of a charge density wave (CDW) in the AV$_3$Sb$_5$ superconductors and structurally-derived bond density waves in FeGe and ScV$_6$Sn$_6$ have stoked the search for new kagome platforms broadly exhibiting density wave (DW) transitions. In this work, we evaluate the known AM$_6$X$_6$ chemistries and construct a stability diagram that summarizes the structural relationships between the $\approx$125 member family. Subsequently we introduce our discovery of the broader LnNb$_6$Sn$_6$ (Ln:Ce-Nd,Sm,Gd-Tm,Lu,Y) family of kagome metals and an analogous DW transition in LuNb$_6$Sn$_6$. Our X-ray scattering measurements clearly indicate a (1/3, 1/3, 1/3) ordering wave vector ($\sqrt{3}\times\sqrt{3}\times3$ superlattice) and diffuse scattering on half-integer $L$-planes. Our analysis of the structural data supports the ``rattling mode'' DW model proposed for ScV$_6$Sn$_6$ and paints a detailed picture of the steric interactions between the rare-earth filler element and the host Nb-Sn kagome scaffolding. We also provide a broad survey of the magnetic properties within the HfFe$_6$Ge$_6$-type LnNb$_6$Sn$_6$ members, revealing a number of complex antiferromagnetic and metamagnetic transitions throughout the family. This work integrates our new LnNb$_6$Sn$_6$ series of compounds into the broader AM$_6$X$_6$ family, providing new material platforms and forging a new route forward at the frontier of kagome metal research.

In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study the electronic structure, phonon dispersion, and electron-phonon scattering to understand the finite-temperature electrical transport properties in CNTs. Our study covers both prototypical metallic and semiconducting CNTs, with special emphasis on the influence of typical defects such as vacancies and the incorporation of copper or nitrogen, such as pyridinic N, pyrrolic N, graphitic N, and oxidized N. Our theoretical study shows significant improvements in the electrical conduction properties of copper-CNT composites, especially when semiconducting CNTs are functionalized with nitrogen. Doping is found to cause significant changes in the electronic density of states near the Fermi level, which affects the electrical conductivity. Calculations show that certain types of functional groups, such as N-pyrrolic, result in a ~30-fold increase in the conductivity of semiconducting CNTs compared to Cu-incorporated CNTs alone. For metallic CNTs, the conductivity is in agreement with existing experimental data, and our prediction of significant increases in conductivity with N-pyrrolic functional group is consistent with recent experimental results, demonstrating the effectiveness of doping in modifying conductivity. Our study provides valuable insight into the electronic properties of doped CNTs and contributes to the development of ultra-high conductivity CNT composites., Comment: 16 pages, 4 figures, 39 references

Here we present the discovery and characterization of the kagome metal TbTi$_3$Bi$_4$ in tandem with a new series of compounds, the Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ (Ln: Tb-Lu) shurikagome metals. We previously reported on the growth of the LnTi$_3$Bi$_4$ (Ln: La-Gd$^{3+}$, Eu$^{2+}$, Yb$^{2+}$) family, a chemically diverse and exfoliable series of kagome metals with complex and highly anisotropic magnetism. However, unlike the La-Gd analogs, TbTi$_3$Bi$_4$ cannot be synthesized by our previous methodology due to phase competition with Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ (x$\sim$1.7-1.2). Here we discuss the phase competition between the LnTi$_3$Bi$_4$ and Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ families, helping to frame the difficulty in synthesizing LnTi$_3$Bi$_4$ compounds with small Ln species and providing a strategy to circumvent formation of Ln$_{2-x}$Ti$_{6+x}$Bi$_9$. Detailed characterization of the magnetic and electronic transport properties on single crystals of TbTi$_3$Bi$_4$ reveals a highly complex landscape of magnetic phases arising from an antiferromagnetic ground state. A series of metamagnetic transitions creates at least 5 unique magnetic phase pockets, including a 1/3 and 2/3 magnetization plateau. Further, the system exhibits an intimate connection between the magnetism and magnetotransport, exhibiting sharp switching from positive (+40%) to negative magnetoresistance (-50%). Like the LnTi$_3$Bi$_4$ kagome metals, the Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ family exhibits quasi-2D networks of titanium and chains of rare-earth. We present the structures and some basic magnetic properties of the Ln$_{2-x}$Ti$_{6+x}$Bi$_9$ family alongside our characterization of the newly discovered TbTi$_3$Bi$_4$.

Here we present the family of titanium-based kagome metals of the form LnTi$_3$Bi$_4$ (Ln: La...Gd$^{3+}$, Eu$^{2+}$, Yb$^{2+}$). Single crystal growth methods are presented alongside detailed magnetic and thermodynamic measurements. The orthorhombic (Fmmm) LnTi$_3$Bi$_4$ family of compounds exhibit slightly distorted titanium-based kagome nets interwoven with zig-zag lanthanide-based (Ln) chains. Crystals are easily exfoliated parallel to the kagome sheets and angular resolved photoemission (ARPES) measurements highlight the intricacy of the electronic structure in these compounds, with Dirac points existing at the Fermi level. The magnetic properties and the associated anisotropy emerge from the quasi-1D zig-zag chains of Ln, and impart a wide array of magnetic ground states ranging from anisotropic ferromagnetism to complex antiferromagnetism with a cascade of metamagnetic transitions. Kagome metals continue to provide a rich direction for the exploration of magnetic, topologic, and highly correlated behavior. Our work here introduces the LnTi$_3$Bi$_4$ compounds to augment the continuously expanding suite of complex and interesting kagome materials.

From a theoretical perspective, matter accretion processes around compact objects are highly relevant as they serve as a natural laboratory to test general relativity in the strong field regime. This enables us to validate fundamental concepts such as the no-hair theorem, the cosmic censorship hypothesis, and the existence of alternative solutions to Einstein's equations that mimic the effects of black holes. In this study, we analyze the emission spectra of geometrically thick accretion disks, referred to as Polish doughnuts, around naked singularities described by the $q$-metric. To begin, we revisit the construction of equilibrium configurations of magnetized tori in this spacetime and evaluate the role of the deformation parameter over these configurations. Once we have systematically studied the disks in this spacetime, we use the \texttt{OSIRIS} code to perform a backward ray-tracing method, resulting in the first simulations of the intensity map and emission profiles of magnetized tori within this metric. Furthermore, we validate the effect of both the quadrupole moment and the angular momentum on observable quantities such as flux and intensity for optically thin and thick disks, since for values of $ q < 0$, which correspond to objects with prolate deformation, and which in turn, are constructed with higher values of angular momentum, the emission spectrum exhibits higher intensity than that obtained for Schwarzschild's spacetime. Hence, we find a first differential feature that distinguishes tori formed around naked singularities from those around static black holes., Comment: 27 pages, 9 figures. Accepted for publication in Classical and Quantum Gravity

Machine learning force fields (MLFFs) are an increasingly popular choice for atomistic simulations due to their high fidelity and improvable nature. Here, we propose a hybrid small-cell approach that combines attributes of both offline and active learning to systematically expand a quantum mechanical (QM) database while constructing MLFFs with increasing model complexity. Our MLFFs employ the moment tensor potential formalism. During this process, we quantitatively assessed structural properties, elastic properties, dimer potential energies, melting temperatures, phase stability, point defect formation energies, point defect migration energies, free surface energies, and generalized stacking fault (GSF) energies of Zr as predicted by our MLFFs. Unsurprisingly, model complexity has a positive correlation with prediction accuracy. We also find that the MLFFs wee able to predict the properties of out-of-sample configurations without directly including these specific configurations in the training dataset. Additionally, we generated 100 MLFFs of high complexity (1513 parameters each) that reached different local optima during training. Their predictions cluster around the benchmark DFT values, but subtle physical features such as the location of local minima on the GSFE surface are washed out by statistical noise.

How filaments form and erupt are topics about which solar researchers have wondered since more than a century and that are still open to debate. We present observations of a filament formation, its failed eruption, and the associated flare (SOL2019-05-09T05:51) that occurred in active region (AR) 12740 using data from SDO, STEREO-A, IRIS, and NSO/GONG. AR 12740 was a decaying region formed by a very disperse following polarity and a strong leading spot, surrounded by a highly dynamic zone where moving magnetic features (MMFs) were seen constantly diverging from the spot. Our analysis indicates that the filament was formed by the convergence of fibrils at a location where magnetic flux cancellation was observed. Furthermore, we conclude that its destabilization was also related to flux cancellation associated to the constant shuffling of the MMFs. A two-ribbon flare occurred associated to the filament eruption; however, because the large-scale magnetic configuration of the AR was quadrupolar, two additional flare ribbons developed far from the two main ones. We model the magnetic configuration of the AR using a force-free field approach at the AR scale size. This local model is complemented by a global potential-field source-surface one. Based on the local model, we propose a scenario in which the filament failed eruption and flare are due to two reconnection processes, one occurring below the erupting filament, leading to the two-ribbon flare, and another one above it between the filament flux-rope configuration and the large-scale closed loops. Our computation of the reconnected magnetic flux added to the erupting flux rope, compared to that of the large-scale field overlying it, lets us conclude that the latter was large enough to prevent the filament eruption. A similar conjecture can be drawn from the computation of the magnetic tension derived from the global field model., Comment: 32 pages, 17 figures, Accepted for publication in Solar Physics

The mid-infrared (mid-IR) range has been mostly unexplored for the investigation of solar flares. It is only recently that new mid-IR flare observations have begun opening a new window into the response and evolution of the solar chromosphere. These new observations have been mostly performed by the AR30T and BR30T telescopes that are operating in Argentina and Brazil, respectively. We present the analysis of SOL2019-05-15T19:24, a GOES class C2.0 solar flare observed at 30~THz (10$\ \mu$m) by the ground-based telescope AR30T. Our aim is to characterize the evolution of the flaring atmosphere and the energy transport mechanism in the context of mid-IR emission. We performed a multi-wavelength analysis of the event by complementing the mid-IR data with diverse ground- and space-based data from the Solar Dynamics Observatory (SDO), the H--$\alpha$ Solar Telescope for Argentina (HASTA), and the Expanded Owens Valley Solar Array (EOVSA). Our study includes the analysis of the magnetic field evolution of the flaring region and of the development of the flare. The mid-IR images from AR30T show two bright and compact flare sources that are spatially associated with the flare kernels observed in ultraviolet (UV) by SDO. We confirm that the temporal association between mid-IR and UV fluxes previously reported for strong flares is also observed for this small flare. The EOVSA microwave data revealed flare spectra consistent with thermal free-free emission, which lead us to dismiss the existence of a significant number of non-thermal electrons. We thus consider thermal conduction as the primary mechanism responsible for energy transport. Our estimates for the thermal conduction energy and total radiated energy fall within the same order of magnitude, reinforcing our conclusions., Comment: 10 pages, 8 figures. Accepted for publication in Astronomy and Astrophysics

The kagome lattice is a fertile platform to explore topological excitations with both Fermi-Dirac and Bose-Einstein statistics. While relativistic Dirac Fermions and flat-bands have been discovered in the electronic structure of kagome metals, the spin excitations have received less attention. Here we report inelastic neutron scattering studies of the prototypical kagome magnetic metal FeSn. The spectra display well-defined spin waves extending up to 120 meV. Above this energy, the spin waves become progressively broadened, reflecting interactions with the Stoner continuum. Using linear spin wave theory, we determine an effective spin Hamiltonian that reproduces the measured dispersion. This analysis indicates that the Dirac magnon at the K-point remarkably occurs on the brink of a region where well-defined spin waves become unobservable. Our results emphasize the influential role of itinerant carriers on the topological spin excitations of metallic kagome magnets., Comment: 6 pages, 4 figures

Understanding the magnetism and its possible correlations to the topological properties has emerged as a forefront and difficult topic in studying magnetic Weyl semimetals. Co$_{3}$Sn$_{2}$S$_{2}$ is a newly discovered magnetic Weyl semimetal with a kagome lattice of cobalt ions and has triggered intense interest for rich fantastic phenomena. Here, we report the magnetic exchange couplings of Co$_{3}$Sn$_{2}$S$_{2}$ using inelastic neutron scattering and two density functional theory (DFT) based methods: constrained magnetism and multiple-scattering Green's function methods. Co$_{3}$Sn$_{2}$S$_{2}$ exhibits highly anisotropic magnon dispersions and linewidths below $T_{C}$, and paramagnetic excitations above $T_{C}$. The spin-wave spectra in the ferromagnetic ground state is well described by the dominant third-neighbor "across-hexagon" $J_{d}$ model. Our density functional theory calculations reveal that both the symmetry-allowed 120$^\circ$ antiferromagnetic orders support Weyl points in the intermediate temperature region, with distinct numbers and the locations of Weyl points. Our study highlights the important role Co$_{3}$Sn$_{2}$S$_{2}$ can play in advancing our understanding of kagome physics and exploring the interplay between magnetism and band topology., Comment: 5 pages, 4 figures, plus one supplementary material

Charge density waves (CDW) are modulations of the electron density and the atomic lattice that develop in some crystalline materials at low temperature. We report an unusual example of a CDW in BaFe$_2$Al$_9$ below 100 K. In contrast to the canonical CDW phase transition, temperature dependent physical properties of single crystals reveal a first-order phase transition. This is accompanied by a discontinuous change in the size of the crystal lattice. In fact, this large strain has catastrophic consequences for the crystals causing them to physically shatter. Single crystal x-ray diffraction reveals super-lattice peaks in the low-temperature phase signaling the development of a CDW lattice modulation. No similar low-temperature transitions are observed in BaCo$_2$Al$_9$. Electronic structure calculations provide one hint to the different behavior of these two compounds; the d-orbital states in the Fe compound are not completely filled. Iron compounds are renowned for their magnetism and partly filled d-states play a key role. It is therefore surprising that BaFe$_2$Al$_9$ develops a structural modulation instead at low temperature instead of magnetic order., Comment: 34 pages, 8 figures Edits to text as well as figures 2 and 5. Added neutron diffraction (Fig. 6)

We report the temporal evolution of the excess brightness temperature above solar active regions (ARs) observed with the Solar Submillimeter Telescope (SST) at 212 ({\lambda} = 1.4 mm) and 405 GHz ({\lambda} = 0.7 mm) during Cycles 23 and 24. Comparison with the sunspot number (SSN) yields a Pearson's correlation coefficient R = 0.88 and 0.74 for 212 and 405 GHz, respectively. Moreover, when only Cycle 24 is taken into account the correlation coefficients go to 0.93 and 0.81 for each frequency. We derive the spectral index {\alpha} between SST frequencies and found a slight anti-correlation with the SSN (R = -0.25); however, since the amplitude of the variation is lower than the standard deviation we cannot draw a definite conclusion. Indeed, {\alpha} remains almost constant within the uncertainties with a median value approximate to 0 characteristic of an optically thick thermal source. Since the origin of the AR submillimeter radiation is thermal continuum produced at chromospheric heights, the strong correlation between the excess brightness temperature and the magnetic cycle evolution could be related to the available free magnetic energy to be released in reconnection events., Comment: Accepted for publication in the Astrophysical Journal

Quantum interference on the kagome lattice generates electronic bands with narrow bandwidth, called flat bands. Crystal structures incorporating this lattice can host strong electron correlations with non-standard ingredients, but only if these bands lie at the Fermi level. In the six compounds with the CoSn structure type (FeGe, FeSn, CoSn, NiIn, RhPb, and PtTl) the transition metals form a kagome lattice. The two iron variants are robust antiferromagnets so we focus on the latter four and investigate their thermodynamic and transport properties. We consider these results and calculated band structures to locate and characterize the flat bands in these materials. We propose that CoSn and RhPb deserve the community's attention for exploring flat band physics., Comment: 12pg 11fig

We show that the Fermi surface can survive the presence of extreme compositional disorder in the equiatomic alloy Ni$_{0.25}$Fe$_{0.25}$Co$_{0.25}$Cr$_{0.25}$. Our high-resolution Compton scattering experiments reveal a Fermi surface which is smeared across a significant fraction of the Brillouin zone (up to 40\% of $\frac{2\pi}{a}$). The extent of this smearing and its variation on and between different sheets of the Fermi surface has been determined, and estimates of the electron mean-free-path and residual resistivity have been made by connecting this smearing with the coherence length of the quasiparticle states.