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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Emergence of flat bands and ferromagnetic fluctuations via orbital-selective electron correlations in Mn-based kagome metal

Kagome lattice has been actively studied for the possible realization of frustration-induced two-dimensional flat bands and a number of correlation-induced phases. Currently, the search for kagome systems with a nearly dispersionless flat band close to the Fermi level is ongoing. Here, by combining theoretical and experimental tools, we present Sc 3 Mn 3 Al 7 Si 5 as a novel realization of correlation-induced almost-flat bands in the kagome lattice in the vicinity of the Fermi level. Our magnetic susceptibility, 27 Al nuclear magnetic resonance, transport, and optical conductivity measurements provide signatures of a correlated metallic phase with tantalizing ferromagnetic instability. Our dynamical mean-field calculations suggest that such ferromagnetic instability observed originates from the formation of nearly flat dispersions close to the Fermi level, where electron correlations induce strong orbital-selective renormalization and manifestation of the kagome-frustrated bands. In addition, a significant negative magnetoresistance signal is observed, which can be attributed to the suppression of flat-band-induced ferromagnetic fluctuation, which further supports the formation of flat bands in this compound. These findings broaden a new prospect to harness correlated topological phases via multiorbital correlations in 3d-based kagome systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Slow ferromagnetic fluctuations in the kagome metal Sc 3 ⁢ Mn 3 ⁢Al 7 ⁢ Si 5 revealed by 27 Al NMR

Static and dynamical magnetic and electronic properties of the kagome metal Sc 3 ⁢Mn 3 ⁢ Al 7⁢ Si 5 have been investigated by 27 Al nuclear magnetic resonance (NMR) measurements. Two distinct 27 Al -NMR signals with two different values of quadrupolar frequencies of 𝜈 Q = 1.55(2) and 1.07(2) MHz are observed, which are assigned to Al(1) and Al(2), respectively. From the detailed NMR spectrum measurements under three different magnetic field directions and the density functional theory calculations, the principal axes of the electric field gradient for each Al site have been determined. The temperature dependence of Knight shift (𝐾) shows a similar temperature dependence of the DC magnetic susceptibility 𝜒 except for the low-temperature region below ∼50 K where 𝐾 is almost constant while 𝜒 keeps increasing, which suggests that the increase in 𝜒 at low temperatures is not intrinsic. 27 Al spin-lattice relaxation rate divided by temperature (1/𝑇 1 ⁢𝑇) is found to be constant, confirming the metallic state of Sc 3 ⁢Mn 3 ⁢ Al 7⁢ Si 5 from a microscopic point of view. Based on a Korringa ratio analysis using the 𝑇 1 and 𝐾 data, ferromagnetic fluctuations are found to dominate in Sc 3 ⁢Mn 3 ⁢ Al 7⁢ Si 5 . In conclusion, these fluctuations are suggested to be very slow with frequencies on the order of kilohertz or lower.

Ding, Qing-Ping [Ames Laboratory (AMES), Ames, IA ↗
DOE OSTI2019

Coexistence of ferromagnetic fluctuations and superconductivity in the actinide superconductor UTe 2

We report low-temperature muon spin relaxation/rotation (μSR) measurements on single crystals of the actinide superconductor UTe 2 . Below 5 K we observe a continuous slowing down of magnetic fluctuations that persists through the superconducting transition temperature ($T_c$ = 1.6 K), but we find no evidence of long-range or local magnetic order down to 0.025 K. In this work, the temperature dependence of the dynamic relaxation rate down to 0.4 K agrees with the self-consistent renormalization theory of spin fluctuations for a three-dimensional weak itinerant ferromagnetic metal. Our μSR measurements also indicate that the superconductivity coexists with the magnetic fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Suppression of antiferromagnetic order and strong ferromagnetic spin fluctuations in Ca(Co 1-x Ni x ) 2-y As 2 single crystals

CaCo 2–y As 2 is a unique itinerant system having strong magnetic frustration. Here, we report the effect of electron doping on the physical properties resulting from Ni substitutions for Co. The single crystals of Ca(Co 1–x Ni x ) 2–y As 2 were characterized by single-crystal x-ray diffraction, energy-dispersive x-ray spectroscopy, magnetization M versus temperature T, magnetic field H, time t, and heat capacity C p (H, T) measurements. The A-type antiferromagnetic (AFM) transition temperature T N = 52 K for x = 0 decreases to 22 K with only 3% Ni substitution and is completely suppressed for x > 0.16. For 0.11 ≤ x ≤ 0.52 strong ferromagnetic (FM) fluctuations develop as revealed by magnetic susceptibility χ(T) = M(T) / H measurements. For x = 0.11 and 0.16 competing AFM and FM interactions result in a reentrant spin-glass behavior below T N , as evidenced by the observations of thermomagnetic hysteresis and magnetic relaxation. Enhanced FM fluctuations are also found for the x = 0.21 and 0.31 crystals, where χ c increases significantly at low T. A large χ anisotropy in these compositions where χ c is up to a factor of two larger than χ ab suggests that the FM spin fluctuations are quasi-1D in nature. Weak ferromagnetic contributions to the magnetization are found at T = 2 K for x = 0.11 –0.31. Heat-capacity Cp(T) measurements reveal the presence of FM quantum spin fluctuations for 0.11 ≤ x ≤ 0.52, where a logarithmic T dependence of Cp(T) / T is observed at low T. Here, the suppression of AFM order by the development of strong FM fluctuations in Ca(Co 1–x Ni x ) 2–y As 2 crystals suggests the presence of a FM quantum-critical point at x ≈ 0.20. Our density-functional theory (DFT) calculations confirm that FM fluctuations are enhanced by Ni substitutions for Co in CaCo 2–y As 2 . The Sommerfeld electronic heat-capacity coefficient is enhanced for x = 0, 0.21, and 0.42 by about a factor of two compared to DFT calculations of the density of states (DOS) at the Fermi energy, suggesting an enhancement of the DOS from electron-phonon and/or electron-electron interactions. The crystals with x > 0.52 do not exhibit FM spin fluctuations or magnetic order at T ≥ 1.8 K, which was found from the DFT calculations to arise from a Stoner transition. Superconductivity is not observed above 1.8 K for any of the compositions. Neutron-diffraction studies of crystals with x = 0.11 and 0.16 in the crossover regime (0.1 ≲ x ≲ 0.2) show no evidence of A-type ordering as observed in the parent compound with x = 0. Furthermore, no other common magnetic structures, such as ferromagnetic (FM), helical stacking of in-plane FM layers, or in-plane AFM structure, are found with an ordered moment greater than the uncertainty of 0.05 μ B per transition-metal atom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Ferromagnetic spin fluctuations in the filled skutterudite SrFe 4 As 12 revealed by 75 As NMR-NQR measurements

75 As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements have been carried out to investigate the magnetic and electronic properties of the filled skutterudite metallic compound SrFe 4 As 12 . The temperature dependence of Knight shift K determined by the NQR spectrum under a small magnetic field (≤ 0.5T) shows the similar temperature dependence of the magnetic susceptibility χ which exhibits a broad maximum at T* ~50 K. The nuclear spin-lattice relaxation rate divided by temperature 1/T 1 T increases with decreasing temperature and exhibits a broad maximum at T~70 K, similar to the case of χ. The temperature dependence of K and 1/T 1 T is reasonably explained by a simple model where we assume a concave-shaped band structure near the Fermi energy. Based on a Korringa ratio analysis using the T1 and K data, ferromagnetic spin fluctuations are found to exist in SrFe 4 As 12 . Furthermore, these results indicate that SrFe 4 As 12 can be characterized to be a metal with ferromagnetic correlations and also the peculiar band structure responsible for the suppression of 1/T 1 T and K at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Possible coexistence of antiferromagnetic and ferromagnetic spin fluctuations in the spin-triplet superconductor UTe 2 revealed by 125 Te NMR under pressure

We report a spin-triplet superconducting state mediated by ferromagnetic (FM) spin fluctuations has been suggested to occur in the newly discovered heavy-fermion superconductor UTe 2 . However, the recent neutron scattering measurements revealed the presence of antiferromagnetic (AFM) spin fluctuations in UTe 2 . Here, we report the 125 Te nuclear magnetic resonance studies of a single-crystal UTe 2 , suggesting the coexistence of FM and AFM spin fluctuations in UTe 2 . Owing to the two different Te sites in the compound, we conclude that the FM spin fluctuations are dominant within ladders and the AFM spin fluctuations originate from the interladder magnetic coupling. Although AFM spin fluctuations exist in the system, the FM spin fluctuations in the ladders may play an important role in the appearance of the spin-triplet superconducting state of UTe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Anisotropic magnon damping by zero-temperature quantum fluctuations in ferromagnetic CrGeTe 3

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 induces energy gaps in the spin wave dispersion at the nominal intersections of magnon and phonon modes. Here we use neutron scattering to show that in the two-dimensional (2D) van der Waals honeycomb lattice ferromagnetic CrGeTe 3 , spin waves propagating within the 2D plane exhibit an anomalous dispersion, damping, and breakdown of quasiparticle conservation, while magnons along the c axis behave as expected for a local moment ferromagnet. These results indicate the presence of dynamical SLC arising from the zero-temperature quantum fluctuations in CrGeTe 3 , suggesting that the observed in-plane spin waves are mixed spin and lattice quasiparticles fundamentally different from pure magnons and phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Suppression of ferromagnetic spin fluctuations in the filled skutterudite superconductor SrOs 4 As 12 revealed by As 75 NMR-NQR measurements

Motivated by the recent observation of ferromagnetic spin correlations in the filled skutterudite SrFe 4 As 12 [Q.-P. Ding et al., Phys. Rev. B 98, 155149 (2018)], we have performed 75 As nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements to investigate the role of magnetic fluctuations in the newly discovered isostructural superconductor SrOs 4 As 12 with a superconducting transition temperature of T c ~ 4.8 K. Here, knight shift K determined by the NQR spectrum under a small magnetic field ( ≤ 0.5 T) is nearly independent of temperature, consistent with the temperature dependence of the magnetic susceptibility. The nuclear spin-lattice relaxation rate divided by temperature, 1/T 1 T, is nearly independent of temperature above ~ 50 K and increases slightly with decreasing temperature below the temperature. The temperature dependence is reasonably explained by a simple model where a flat band structure with a small ledge near the Fermi energy is assumed. By comparing the present NMR data with those in SrFe 4 As 12 , we found that the values of | K | and 1/T 1 T in SrFe 4 As 12 are smaller than those in SrFe 4 As 12 , indicating no obvious ferromagnetic spin correlations in SrFe 4 As 12 . From the temperature dependence of 1/T 1 T in the superconducting state, an s -wave superconductivity is realized.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Phase Transitions in Helicoidal Ferromagnets with Concentrational Fluctuations of Local Magnetization

A phenomenological approach to the theory of phase transitions induced by fluctuations in helicoidal ferromagnets with concentrational fluctuations is developed. For this purpose, random variables equal to one at a site ν occupied by a magnetic atom and zero otherwise are introduced into the Ginzburg–Landau functional. It is shown that, above the magnetic transition temperature (T{sub C}), due to concentrational effects, local magnetization is preserved, fluctuations of the helicoidal spin helix arise, and skyrmion states in the magnetic field are formed. The disappearance of the vortical states is due to the suppression of local magnetization by thermodynamic fluctuations at the temperature T{sub S} (>T{sub C}). The theoretical results explain the reasons for the significant expansion of the temperature range of skyrmion states in nonstoichiometric manganese monosilicide with manganese deficiency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Unusual electrical and magnetic properties in layered EuZn 2 As 2

Eu-based compounds often exhibit unusual magnetism, which is critical for nontrivial topological properties seen in materials such as EuCd 2 As 2 . The authors investigate the structure and physical properties of EuZn 2 As 2 through measurements of the electrical resistivity, Hall effect, magnetization, and neutron diffraction. Their data show that EuZn 2 As 2 orders antiferromagnetically with an A-type spin configuration below T N = 19 K. Surprisingly, there is strong evidence for dominant ferromagnetic fluctuations above T N , as reflected by positive Curie–Weiss temperature and extremely large negative magnetoresistance (MR) between T N and T fl ≈200 K. Furthermore, the angle dependence of the MRab indicates field-induced spin reorientation from the ab-plane to a direction ≈45° from the ab plane. Compared to EuCd 2 As 2 , the doubled T N and T fl make EuZn 2 As 2 a better platform for exploring nontrivial magnetic and electronic properties in both magnetic fluctuation (T N < T < T fl ) and ordered (T < T N ) regimes.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Electronic Structure and Magnetic Phase Transition in Helicoidal Fe{sub 1-x}Co{sub x}Si Ferromagnets

LSDA + U + SO calculations of the electronic structure of helicoidal Fe{sub 1-x}Co{sub x}Si ferromagnets within the virtual crystal approximation have been supplemented with the consideration of the Dzyaloshinski-Moriya interaction and ferromagnetic fluctuations of the spin density of collective d electrons with the Hubbard interactions at Fe and Co atoms randomly distributed over sites. The magnetic-state equation in the developed model describes helicoidal ferromagnetism and its disappearance accompanied by the occurrence of a maximum of uniform magnetic susceptibility at temperature T{sub C} and chiral fluctuations of the local magnetization at T > T{sub C}. The reasons why the magnetic contribution to the specific heat at the magnetic phase transition changes monotonically and the volume coefficient of thermal expansion (VCTE) at low temperatures is negative and has a wide minimum near T{sub C} have been investigated. It is shown that the VCTE changes sign when passing to the paramagnetic state (at temperature T{sub S}).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Observation of paramagnetic spin-degeneracy lifting in EuZn 2 Sb 2

Taken together, time-reversal and spatial inversion symmetries impose a twofold spin degeneracy of the electronic states in crystals. In centrosymmetric materials, this degeneracy can be lifted by introducing magnetism, either via an externally applied field or through internal magnetization. However, a correlated alignment of spins, even in the paramagnetic phase, can lift the spin degeneracy of electronic states. Here, we report an in-depth study of the electronic band structure of the Eu-ternary pnictide EuZn 2 Sb 2 through a combination of high-resolution angle-resolved photoemission spectroscopy measurements and first-principles calculations. An analysis of the photoemission line shapes over a range of incident photon energies and sample temperatures is shown to reveal the presence of band spin-degeneracy lifting in the paramagnetic phase. Our angle-resolved photoemission spectroscopy results are in good agreement with theoretical ferromagnetic-phase calculations, which indicates the importance of ferromagnetic fluctuations in the system. Through our calculations, we predict that spin-polarized bands in EuZn 2 Sb 2 generate a single pair of Weyl nodes. Our observation of band splittingin EuZn 2 Sb 2 provides a key step toward realizing time-reversal symmetry breaking physics in the absence of long-range magnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Electron Spin Resonance Properties of CrI 3 and CrCl 3 Single Crystals

Developing functional, cleavable two-dimensional materials for use in next generation devices has recently become a topic of considerable interest due to their unique properties. Of particular interest, transition metal halides CrI 3 and CrCl 3 have shown to be good contenders for tunable and cleavable magnetic materials due to their unique magnetic properties in the monolayer. In this work, electron spin resonance spectroscopy is used to pinpoint the atomic origins and underlying mechanisms of magnetic interactions as a function of temperature (5-500 K) and microwave frequency (9.43, 120 GHz) on CrI 3 and CrCl 3 bulk single crystals. Furthermore, ESR signals from CrI 3 due to Cr 3+ were observed to decay at 460 K, while ESR signals from CrCl 3 remain up to 500 K. In the case of CrCl 3 , the temperature dependences of signal behavior, line width and g-value show characteristic signatures of ferromagnetic fluctuations at around 40 K, near to the antiferromagnetic phase transition at 17 K.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Hole-like Fermi surface in the overdoped non-superconducting Bi 1.8 Pb 0.4 Sr 2 CuO 6+δ

In high-temperature cuprate superconductors, the anti-ferromagnetic spin fluctuations are thought to have a very important role in naturally producing an attractive interaction between the electrons in the d-wave channel. The connection between superconductivity and spin fluctuations is expected to be especially consequential at the overdoped end point of the superconducting dome. In some materials, that point seems to coincide with a Lifshitz transition, where the Fermi surface changes from the hole-like centered at $(\pi, \pi)$ to the electron-like, centered at the Γ point causing a loss of large momentum anti-ferromagnetic fluctuations. In this work, we study the doping dependence of the electronic structure of Bi 1.8 Pb 0.4 Sr 2 CuO$_{6+\delta}$ in angle-resolved photoemission and find that the superconductivity vanishes at lower doping than that at which the Lifshitz transition occurs. This requires a more detailed re-examination of a spin fluctuation scenario.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗