Alexander I Kolesnikov

Oak Ridge National Laboratory | ORNL · Neutron Sciences Directorate

We report inelastic neutron scattering measurements of magnetic excitations in YbMnSb2, a low-carrier-density Dirac semimetal in which the antiferromagnetic Mn layers are interleaved with Sb layers that host Dirac fermions. We observe a considerable broadening of spin waves, which is consistent with substantial spin fermion coupling. The spin wave...

Recently, Co-based honeycomb magnets have been proposed as promising candidate materials to host the Kitaev spin liquid (KSL) state. One of the front-runners is BaCo 2 (AsO 4 ) 2 (BCAO), where it was suggested that the exchange processes between Co ²⁺ ions via the surrounding edge-sharing oxygen octahedra could give rise to bond-dependent Kitaev in...

A large body of knowledge about magnetism is attained from models of interacting spins, which usually reside on magnetic ions. Proposals beyond the ionic picture are uncommon and seldom verified by direct observations in conjunction with microscopic theory. Here, using inelastic neutron scattering to study the itinerant near-ferromagnet MnSi, we fi...

Kagome-lattice materials have attracted tremendous interest due to the broad prospect for seeking superconductivity, quantum spin liquid states, and topological electronic structures. Among them, the transition-metal kagome lattices are high-profile objects for the combination of topological properties, rich magnetism, and multiple-orbital physics....

Lanthanides in the trivalent oxidation state are typically described using an ionic picture that leads to localized magnetic moments. The hierarchical energy scales associated with trivalent lanthanides produce desirable properties for e.g., molecular magnetism, quantum materials, and quantum transduction. Here, we show that this traditional ionic...

Kagome-lattice materials have attracted tremendous interest due to the broad prospect for seeking superconductivity, quantum spin liquid states, and topological electronic structures. Among them, the transition-metal Kagome lattices are high-profile objects for the combination of topological properties, rich magnetism, and multiple orbital physics....

Topological invariants in the band structure, such as Chern numbers, are important for the understanding and classification of the topological properties of matter and dictate the occurrence of exotic behaviors, yet their direct spectroscopic determination has been largely limited to electronic bands. Here, we use inelastic neutron scattering in co...

Fe3−xGeTe2 is a layered magnetic van der Waals material of interest for both fundamental and applied research. Despite the observation of intriguing physical properties, open questions exist even on the basic features related to magnetism: is it a simple ferromagnet or are there antiferromagnetic regimes, and are the moments local or itinerant. Her...

We investigated the impact of Li stoichiometry and host flexibility on Li+ diffusion processes in LiAlGeO4 at the microscopic level using quasielastic neutron scattering (QENS) and ab initio molecular dynamics (AIMD) simulations. Using sufficiently long AIMD trajectories, we could simulate the observed QENS signal and identify the localized dynamic...

Topological invariants in the band structure, such as Chern numbers, are crucial for the classification of topological matters and dictate the occurrence of exotic properties, yet their direct spectroscopic determination has been largely limited to electronic bands. Here, we use inelastic neutron scattering in conjunction with ab initio calculation...

Spin and lattice are two fundamental degrees of freedom in a solid, and their fluctuations about the equilibrium values in a magnetic ordered crystalline lattice form quasiparticles termed magnons (spin waves) and phonons (lattice waves), respectively. In most materials with strong spin-lattice coupling (SLC), the interaction of spin and lattice in...

A large body of knowledge about magnetism is attained from models of interacting spins, which usually reside on magnetic ions. Proposals beyond the ionic picture are uncommon and seldom verified by direct observations in conjunction with microscopic theory. Here, using inelastic neutron scattering to study the itinerant near-ferromagnet MnSi, we fi...

Spin and lattice are two fundamental degrees of freedom in a solid, and their fluctuations about the equilibrium values in a magnetic ordered crystalline lattice form quasiparticles termed magnons (spin waves) and phonons (lattice waves), respectively. In most materials with strong spin-lattice coupling (SLC), the interaction of spin and lattice in...

Due to the small mass and anomalously large neutron scattering cross-section of proton (about 80 barns compared to a few barns for other nuclei), inelastic neutron scattering is considered as one of the most effective tools in studying optical vibrations of hydrogen atoms in metal hydrides. The current review is focused on the binary hydrides of 3d...

Recently, Co-based honeycomb magnets have been proposed as promising candidate materials to host the Kitaev spin liquid state. One of the front-runners is BaCo$_2$(AsO$_4$)$_2$ (BCAO), where it was suggested that the exchange processes between Co$^{2+}$ ions via the surrounding edge-sharing oxygen octahedra could give rise to bond-dependent Kitaev...

We have carried out neutron spectroscopic measurements on single crystals of La1.6−xNd0.4SrxCuO4 from 0.12≤x≤0.26 using time-of-flight techniques. These measurements allow us to follow the evolution of parallel spin stripe fluctuations with energies less than ∼33 meV, from x=0.12 to 0.26. Samples at these hole-doping levels are known to display sta...

Amorphous calcium carbonate (ACC) is a precursor of crystalline calcium carbonate; hence, its structural information at the atomic level is very important for controlling the morphology of crystalline calcium carbonate. In this study, we attempted to elucidate the process of Sr extraction from aqueous solution by using ACC for the purpose of remova...

Fe3-xGeTe2 is a layered magnetic van der Waals material of interest for both fundamental and applied research. Despite the observation of intriguing physical properties, open questions exist even on the basic features related to magnetism: is it a simple ferromagnet or are there antiferromagnetic regimes and are the moments local or itinerant. Here...

Phonons are quasi-particles observed as lattice vibrations in periodic materials, which often dampen in the presence of structural perturbations. Nevertheless, phonon-like collective excitations exist in highly complex systems, such as proteins, although the origin of such collective motions has remained elusive. Here we present a picture of temper...

Two dimensional van der Waals ferromagnets with honeycomb structures are expected to host the bosonic version of Dirac particles in their magnon excitation spectra. Using inelastic neutron scattering, we study spin wave excitations in polycrystalline CrCl$_3$, which exhibits ferromagnetic honeycomb layers with antiferromagnetic stackings along the...

It is currently known that three hydrides – PdHx, MoHx, and TiHx – exhibit an inverse isotope effect in superconductivity. Namely, the phase with a heavier hydrogen isotope, deuterium, has a higher critical temperature. Hydrides and deuterides of palladium have intensively been studied both experimentally and theoretically, but the origin of the is...

We have carried out new neutron spectroscopic measurements on single crystals of La$_{1.6-x}$Nd$_{0.4}$Sr$_x$CuO$_4$ from 0.12 to 0.26 using time-of-flight techniques. These measurements allow us to follow the evolution of parallel spin stripe fluctuations with energies less than 33 meV, from x=0.12 to 0.26. Samples at these hole-doping levels are...

Understanding magnetism and its possible correlations to topological properties has emerged to the forefront as a difficult topic in studying magnetic Weyl semimetals. Co3Sn2S2 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 magne...

The search for topological spin excitations in recently discovered two-dimensional (2D) van der Waals (vdW) magnetic materials is important because of their potential applications in dissipationless spintronics. In the 2D vdW ferromagnetic (FM) honeycomb lattice CrI3 (TC=61 K), acoustic and optical spin waves are found to be separated by a gap at t...

Thermal neutron scattering measurements of yttrium hydride from 5 to 1,200 K were conducted to determine the change in inelastic scattering as a function of temperature and to probe for anharmonic effects. Additionally, measurements on samples of YHx from x = 1.62 to 1.90 were done to determine the effects of varying hydrogen concentration on the i...

Sr2CuTe0.5W0.5O6 is a square-lattice magnet with superexchange between S=12Cu2+ spins mediated by randomly distributed Te and W ions. Here, using sub-K temperature and 20 μeV energy resolution neutron scattering experiments we show that this system transits from a gapless disorder-induced spin liquid to a new quantum state below Tf=1.7(1) K, exhibi...

We employed inelastic neutron scattering (INS), specific heat, and magnetization analysis to study the magnetism in a synthetic polymorph of the quasi-two-dimensional natural metal-organic framework material, stepanovite NaMgFe(C$_2$O$_4$)$_3\cdot$9H$_2$O. No long-range magnetic order can be observed down to 0.5 K. The INS spectra show two dispersi...

The search for topological spin excitations in recently discovered two-dimensional (2D) van der Waals (vdW) magnetic materials is important because of their potential applications in dissipation-less spintronics. In the 2D vdW ferromagnetic (FM) honeycomb lattice CrI$_3$(T$_C$= 61 K), acoustic and optical spin waves were found to be separated by a...

Three-dimensional, commensurate long-range magnetic order in La2CuO4 quickly evolves to quasi-two-dimensional, incommensurate correlations upon doping with mobile holes, and superconductivity follows for x as small as 0.05 in the La2−xSrx/BaxCuO4 family of superconductors. The onset of superconductivity in these systems is known to be coincident wi...

A recent screening study highlighted a molecular compound, apilimod, for its efficacy against the SARS-CoV-2 virus, while another compound, tetrandrine, demonstrated a remarkable synergy with the benchmark antiviral drug, remdesivir. Here, we find that because of significantly reduced potential energy barriers, which also give rise to pronounced qu...

The anharmonic phonon behavior in zirconium hydrides and deuterides, including ϵ-ZrH2, γ-ZrH, and γ-ZrD, has been investigated from aspects of inelastic neutron scattering (INS) and lattice dynamics calculations within the framework of density functional theory (DFT). The harmonic model failed to reproduce the spectral features observed in the expe...

We have performed quasielastic neutron scattering (QENS) experiments up to 1243 K and ab-initio molecular dynamics (AIMD) simulations to investigate the Na diffusion in various phases of NaAlSiO4 (NASO), namely, low-carnegieite (L-NASO; trigonal), high-carnegieite (H-NASO; cubic) and nepheline (N-NASO; hexagonal) phases. The QENS measurements revea...

Magnetic order is usually associated with well-defined magnon excitations. Exotic magnetic fluctuations with fractional, topological or multipolar character have been proposed for unconventional forms of magnetic matter such as spin liquids¹. As a result, considerable effort has been expended to search for, and uncover, low-spin materials with supp...

Powder samples of TaH0.89 and TaD0.96 are synthesized under a hydrogen (deuterium) pressure of 2.8 GPa and a temperature of 250 °C, then quenched to the liquid nitrogen temperature, recovered to ambient pressure and studied by neutron diffraction (ND) and inelastic neutron scattering (INS). The ND study shows that both hydrogen and deuterium atoms...

The interplay between strong electron correlation and band topology is at the forefront of condensed matter research. As a direct consequence of correlation, magnetism enriches topological phases and also has promising functional applications. However, the influence of topology on magnetism remains unclear, and the main research effort has been lim...

Thermomagnetic and inelastic neutron-scattering measurements on Na2PrO3 are reported. This material is an antiferromagnetic honeycomb magnet based on the tetravalent lanthanide Pr4+ and has been proposed to host dominant antiferromagnetic Kitaev interactions. These measurements reveal magnetic fluctuations in Na2PrO3 below an energy of 2 meV as wel...

Co$_{3}$Sn$_{2}$S$_{2}$ is a newly discovered magnetic Weyl semimetal with a kagome lattice of cobalt ions that exhibits tunable magnetic orderings coupled to quantum transport properties. Determination of the magnetic interactions in the ground state is crucial to understanding the physical properties. Here, we report the magnetic excitations and...

\rm{Sr_2CuTe_{0.5}W_{0.5}O_6}$ is a square-lattice magnet with super-exchange between S=1/2 $\rm{Cu^{2+}}$ spins mediated by randomly distributed Te and W ions. Here, using sub-K temperature and 20 $\rm{\mu}$eV energy resolution neutron scattering experiments we show that this system transits from a gapless disorder-induced quantum spin liquid to a...

The high-field magnetic properties and magnetic order of the gem mineral green dioptase Cu$_6[$Si$_6$O$_{18}]\cdot 6$H$_2$O have been studied by means of single-crystal neutron diffraction in magnetic fields up to $21~$T and magnetization measurements up to $30~$T. In zero field, the Cu$^{2+}$-moments in the antiferromagnetic chains are oriented al...

The high-field magnetic properties and magnetic order of the gem mineral green dioptase Cu6[Si6O18]·6H2O have been studied by means of single-crystal neutron diffraction in magnetic fields up to 21 T and magnetization measurements up to 30 T. In zero field, the Cu2+ moments in the antiferromagnetic chains are oriented along the c axis with a small...

Two-dimensional van der Waals compounds with magnetic ions on a honeycomb lattice are hosts to a variety of exotic behavior. The magnetic interactions in one such compound, MnPSe3, are investigated with elastic and inelastic neutron scattering. Magnetic excitations are observed in the magnetically ordered regime and persist to temperatures well abo...

We employed inelastic neutron scattering (INS), specific heat, and magnetization analysis to study the magnetism in a synthetic polymorph of the quasi-two-dimensional natural metal-organic framework material, stepanovite NaMgFe(C2O4)3·9H2O. No long-range magnetic order can be observed down to 0.5 K. The INS spectra show two dispersionless excitatio...

We have performed quasielastic neutron scattering (QENS) experiments up to 1243 K and ab-initio molecular dynamics (AIMD) simulations to investigate the Na diffusion in various phases of NaAlSiO4 (NASO), namely,...

The thermally activated dynamics of methyl groups are important for biochemical activity as they allow for a more efficient sampling of the energy landscape. Here, we compare methyl rotations in the dry and variously hydrated states of three primary drugs under consideration to treat the recent coronavirus disease (COVID-19), namely, hydroxychloroq...

The broken symmetry in the atomic-scale ordering of glassy versus crystalline solids leads to a daunting challenge to provide suitable metrics for describing the order within disorder, especially on length scales beyond the nearest neighbor that are characterized by rich structural complexity. Here, we address this challenge for silica, a canonical...

Inelastic neutron scattering (INS) is a widely used technique to study atomic and molecular vibrations. With the increasing complexity of materials and thus the INS spectra, being able to simulate the spectra from various atomistic models becomes an essential step and also a major bottleneck for INS data analysis. The conventional approach using de...

In this work, an investigation of supercritical water is presented combining inelastic and deep inelastic neutron scattering experiments, and molecular dynamics simulations based on a machine-learned potential of ab-initio quality. The local hydrogen dynamics is investigated at 250 bar and in the temperature range 553–823 K, covering the evolution...

Two-dimensional van der Waals compounds with magnetic ions on a honeycomb lattice are hosts to a variety of exotic behavior. The magnetic interactions in one such compound, MnPSe$_3$, are investigated with elastic and inelastic neutron scattering. Magnetic excitations are observed in the magnetically ordered regime and persist to temperatures well...

Thermomagnetic and inelastic neutron scattering measurements on Na2PrO3 are reported. This material is an antiferromagnetic honeycomb magnet based on the tetravalent lanthanide Pr4+ and has been proposed to host dominant antiferromagnetic Kitaev interactions. These measurements reveal magnetic fluctuations in Na2PrO3 below an energy of 2 meV as wel...

Thermal neutron scattering cross-section data for light water available in the major nuclear data libraries observes significant differences especially at reactor operating temperatures. During the past few years there has been a renewed interest in reviewing the existing thermal scattering models and generating more accurate and reliable thermal s...

Series of light water inelastic neutron scattering experiments have been made at the Oak Ridge National Laboratory (ORNL), Spallation Neutron Source (SNS) covering temperatures ranging from 295 K to 600 K and pressures of 1 bar and 150 bar. The temperatures and pressures ranges correspond to that of pressurized light water reactors. The inelastic s...

Quasi-two dimensional quantum magnetism is clearly highly correlated with superconducting ground states in cuprate-based High T$_c$ superconductivity. Three dimensional, commensurate long range magnetic order in La$_2$CuO$_4$ quickly evolves to quasi-two dimensional, incommensurate correlations on doping with mobile holes, and superconducting groun...

This paper details and implements a framework for evaluating thermal neutron scattering cross sections that provide S ( α , β ) data and covariance data for hydrogen in light water. This methodology involves perturbing model parameters of molecular dynamics potentials and fitting the simulation results to experimental data. The framework is general...

Here, using a combined theoretical and experimental approach, we have investigated the interaction mechanism of titanium carbide MXene with variety of organic molecules whose end groups are O, S, N and tertiary amines. All organic molecules intercalated between MXene layers; however, layers expansion followed the end-group of the organic molecules....

Water is renowned for its anomalous behaviors, which can be linked to a distributed H-bond network in bulk water. Ul-tra-confinement of the water molecule can remove H-bonding, leaving only molecular water. In natural cordierite crystals, water is trapped in an orthorhombic channel with an average diameter of 5.7 Å, running through the center of th...

Chloroquine and its derivative hydroxychloroquine are primarily known as antimalaria drugs. Here, we investigate the influence of hydration water on the molecular dynamics in hydroxychloroquine sulfate, a commonly used solubilized drug form. When hydration, even at a low level, results in a disordered structure, as opposed to the highly ordered str...

A single-phase sample of TaH2.2(1) with a hexagonal close-packed metal lattice (hcp; space group P63/mmc) was synthesized under a hydrogen pressure of 9 GPa and a temperature of 100 °C; quenched to the liquid nitrogen temperature; recovered to ambient pressure and studied by neutron diffraction (ND) and inelastic neutron scattering (INS). The ND st...

The physics of weak itinerant ferromagnets is challenging due to their small magnetic moments and the ambiguous role of local interactions governing their electronic properties, many of which violate Fermi-liquid theory. While magnetic fluctuations play an important role in the materials’ unusual electronic states, the nature of these fluctuations...

The dynamics of water on or in a mineral substrate play an important role in interfacial processes. This is because the structure and dynamics of interfacial water deviate from those of bulk water due to the change of interactions between surface water molecules and the interactions between surface water and the substrate. This work presents a stud...

Molecular magnets based on heavy transition metals have recently attracted significant interest in the quest for novel magnetic properties. For systems with an odd number of valence electrons per molecule, high or low molecular spin states are typically expected in the double exchange or quasimolecular orbital limits, respectively. In this work, we...

Hexagonal iron sulfide exhibits a fascinating coexistence of metal–insulator, structural and magnetic transitions, reflecting an intimate interplay of its spin, phonon and charge degrees of freedom. Here, we show how a subtle competition of energetic and entropic free-energy components governs its thermodynamics and the sequence of phase transition...

Topological magnon is a vibrant research field gaining more and more attention in the past few years. Among many theoretical proposals and limited experimental studies, ferromagnetic Kagome lattice emerges as one of the most elucidating systems. Here we report neutron scattering studies of YMn6Sn6, a metallic system consisting of ferromagnetic Kago...

We use neutron scattering to show that ferromagnetic (FM) phase transition in the two-dimensional (2D) honeycomb lattice CrI3 is a weakly first order transition and controlled by spin-orbit coupling (SOC) induced magnetic anisotropy, instead of magnetic exchange coupling as in a conventional ferromagnet. With increasing temperature, the magnitude o...