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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Superconductivity in undoped BaFe 2 As 2 by tetrahedral geometry design

Fe-based superconductors exhibit a diverse interplay between charge, orbital, and magnetic ordering. Variations in atomic geometry affect electron hopping between Fe atoms and the Fermi surface topology, influencing magnetic frustration and the pairing strength through changes of orbital overlap and occupancies. Here, we experimentally demonstrate a systematic approach to realize superconductivity without chemical doping in BaFe 2 As 2 , employing geometric design within an epitaxial heterostructure. We control both tetragonality and orthorhombicity in BaFe 2 As 2 through superlattice engineering, which we experimentally find to induce superconductivity when the As−Fe−As bond angle approaches that in a regular tetrahedron. This approach to superlattice design could lead to insights into low-dimensional superconductivity in Fe-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Complex field reversal dynamics in nanomagnetic systems

Nanomagnetic materials, built from thin, patterned films of ferromagnetic materials, began as analogues to frustrated magnetism. Their low energy of operation and emergent properties make them strong candidates for physics-based devices. A recent model of how nanomagnetic domains flip, the Glauber mean-field model, is used here to understand how systems of nanomagnets evolve when opposed by external field. This reversal can be expressed in an analytical form in the case of one-dimensional chains and trees at zero temperature, where the cascade of spin flips gives rise to harmonic power spectra. Finally, the same cascades in two and three dimensions form fractal field reversal clusters whose shape depends on the strength of the field and the tuning of interactions between nanomagnets.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Large tunable anomalous Hall effect in the kagome antiferromagnet U 3 Ru 4 Al 12

The Berry curvature in magnetic systems is attracting interest due to the potential tunability of topological features via the magnetic structure. f electrons, with their large spin-orbit coupling, abundance of noncollinear magnetic structures, and high electronic tunability, are attractive candidates to search for tunable topological properties. In this study, we measure anomalous Hall effect (AHE) in the distorted kagome heavy fermion antiferromagnet U 3 Ru 4 Al 12 . Furthermore, a large intrinsic AHE in high fields reveals the presence of a large Berry curvature. Moreover, the fields required to obtain the large Berry curvature are significantly different between B ∥ a and B ∥ a * , providing a mechanism to control the topological response in this system. Theoretical calculations illustrate that this sensitivity may be due to the heavy fermion character of the electronic structure. These results shed light on the Berry curvature of a strongly correlated band structure in magnetically frustrated heavy fermion materials but also emphasize 5 f electrons as an ideal playground for studying field-tuned topological states.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Chiral properties of the zero-field spiral state and field-induced magnetic phases of the itinerant kagome metal YMn 6 Sn 6

Applying a magnetic field in the hexagonal plane of YMn 6 Sn 6 leads to a complex magnetic phase diagram of commensurate and incommensurate phases, one of which coexists with the topological Hall effect (THE) generated by a unique fluctuation-driven mechanism. Using unpolarized neutron diffraction, we report on the solved magnetic structure for two previously identified, but unknown, commensurate phases. These include a low-temperature, high-field fanlike phase and a room-temperature, low-field canted antiferromagnetic phase. Here, an intermediate incommensurate phase between the fanlike and forced ferromagnetic phases is also identified as the last known phase of the in-plane field-temperature diagram. Additional characterization using synchrotron powder diffraction reveals extremely high-quality, single-phase crystals, which suggests that the presence of two incommensurate magnetic structures throughout much of the phase diagram is an intrinsic property of the system. Interestingly, polarized neutron diffraction shows that the centrosymmetric system hosts preferential chirality in the zero-field double-flat-spiral phase, which, along with the THE, is a topologically nontrivial characteristic.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Chemical tuning of a honeycomb magnet through a critical point

BaCo 2⁢ (AsO 4 )⁢ 2 (BCAO) has seen extensive study since its initial identification as a proximate Kitaev quantum spin liquid candidate. Thought to be described by the highly anisotropic XXZ-J 1 -J 3 model, the ease with which magnetic order is suppressed in the system indicates proximity to a spin liquid phase. Upon chemical tuning via partial arsenic substitution with vanadium, we show an initial suppression of long-range incommensurate order in the BCAO system to T ≈ 3.0 K, followed by increased spin freezing at higher substitution levels. Between these two regions, at around 10% substitution, the system is shown to pass through a critical point where the competing J 1 /J 3 exchange interactions become more balanced, producing a more complex magnetic ground state, likely stabilized by quantum fluctuations. Here, this state shows how slight compositional change in magnetically frustrated systems may be leveraged to tune ground state degeneracies and potentially realize a quantum spin liquid state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Anisotropic hybridization in CeRhSn

The optical conductivity σ⁡(ω, T) of CeRhSn was studied by broadband infrared spectroscopy. Temperature-dependent spectral weight transfer occurs over high energy (0.8 eV) and temperature (~500 K) scales, classifying CeRhSn as a mixed-valent compound. The optical conductivity reveals a substantial anisotropy in the electronic structure. Renormalization of σ⁡(ω, T) occurs as a function of temperature to a coherent Kondo state with concomitant effective mass generation. Associated spectroscopic signatures were reproduced remarkably well by the combination of density functional theory and dynamical mean-field theory using a momentum-independent self-energy. The theory shows that the anisotropy for energies > 10 meV is mainly driven by the bare three-dimensional electronic structure that is renormalized by local electronic correlations. The possible influence of magnetic frustration and quantum criticality is restricted to lower energies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Local probe investigation of the spin dynamics in the kagome and interlayers of orthorhombic barlowite $\mathrm{Cu4(OD)_6FBr; ^{79}Br}$ and $\mathrm{^{63}Cu}$ NQR study

Here we report 79 Br and 63 Cu nuclear quadrupole resonance (NQR) in the paramagnetic state above T N =15 K of the antiferromagnetic orthorhombic phase of barlowite Cu 4 (OD) 6 FBr consisting of a layered kagome structure. The divergent behavior of the longitudinal 79 (1/T 1 ) and transverse 79 (1/T 2 ) relaxation rates observed at 79Br sites evidences that critical slowing down of Cu spin fluctuations sets in below ~20 K. This means that one or more Cu sites, most likely at the interlayer Cu(3,4,5) sites between the kagome planes, undergo the antiferromagnetic phase transition in a fairly conventional way. On the other hand, the 63 Cu NQR signal intensity is gradually wiped out below ~30 K, pointing toward gradual spin freezing of the kagome layers instead. These contrasting findings suggest significant roles played by magnetic frustration effects within the kagome layers.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Weak-field induced nonmagnetic state in a Co-based honeycomb

Layered honeycomb magnets are of interest as potential realizations of the Kitaev quantum spin liquid (KQSL), a quantum state with long-range spin entanglement and an exactly solvable Hamiltonian. Conventional magnetically ordered states are present for all currently known candidate materials, however, because non-Kitaev terms in the Hamiltonians obscure the Kitaev physics. Current experimental studies of the KQSL are focused on 4 d or 5 d transition metal–based honeycombs, in which strong spin-orbit coupling can be expected, yielding Kitaev interaction that dominates in an applied magnetic field. In contrast, for 3 d -based layered honeycomb magnets, spin-orbit coupling is weak, and thus, Kitaev physics should be substantially less accessible. Here, we report our studies on BaCo 2 (AsO 4 ) 2 , for which we find that the magnetic order associated with the non-Kitaev interactions can be fully suppressed by a relatively low magnetic field, yielding a nonmagnetic material and implying the presence of strong magnetic frustration and weak non-Kitaev interactions.

Science & Technology - Other Topics↗
DOE OSTI2026

Emergent pair density wave order across a Lifshitz transition

We numerically investigate the telltale signs of pair-density-wave order (PDW) in the Kondo-Heisenberg chain by focusing on the momentum resolved spectrum in different parameter regimes. Density matrix renormalization group calculations reveal that this phase is characterized by a dispersion with two minima and four Fermi points, indicating the emergence of an effective next-nearest-neighbor hopping that arises as a second-order effect to avoid magnetic frustration. The pairs appear in the spectrum as in-gap bound states with weight concentrated in the hole pockets. The low-energy physics can be understood by means of a generalized t−J model with next-nearest-neighbor hopping. Our results offer a guide for searching for experimental signatures, and for other models that can realize PDW physics.

Yang, Luhang [University of Tennessee Knoxville]↗
DOE OSTI2020

Exchange biased anomalous Hall effect driven by frustration in a magnetic kagome lattice

Abstract Co $$_{3}$$ 3 Sn $$_{2}$$ 2 S $$_{2}$$ 2 is a ferromagnetic Weyl semimetal that has been the subject of intense scientific interest due to its large anomalous Hall effect. We show that the coupling of this material’s topological properties to its magnetic texture leads to a strongly exchange biased anomalous Hall effect. We argue that this is likely caused by the coexistence of ferromagnetism and geometric frustration intrinsic to the kagome network of magnetic ions, giving rise to spin-glass behavior and an exchange bias.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Magnetic properties of the frustrated spin-$\frac{1}{2}$ capped-kagome antiferromagnet (CsBr)Cu 5 V 2 O 10

Here, the structural and magnetic properties of a spin-$\frac{1}{2}$ averievite (CsBr)⁢Cu 5⁢ V 2 ⁢O 10 are investigated by means of temperature-dependent x-ray diffraction, magnetization, heat capacity, and 51 V nuclear magnetic resonance (NMR) measurements. The crystal structure (trigonal, $P\bar{3}$) features a frustrated capped-kagome lattice of the magnetic Cu 2+ ions. Magnetic susceptibility analysis indicates a large Curie-Weiss temperature of $\theta$ CW ≃ -175K. Heat capacity signals the onset of a magnetic long-range-order (LRO) at T N ≃21.5K at zero magnetic field due to the presence of significant inter-planer coupling in this system. The magnetic LRO below 27 K is further evident from the drastic change in the 51 V NMR signal intensity and rapid enhancement in the 51 V spin-lattice relaxation rate in a magnetic field of 6.3 T. The frustration index ƒ=|⁢$\theta$ CW ⁢|/⁢T N ≃ 8 ascertains strong magnetic frustration in this compound. From the high-temperature value of the 51 V NMR spin-lattice relaxation rate, the leading antiferromagnetic exchange interaction between the Cu 2+ ions is calculated to be J/k B ≃ 136K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Structural and double magnetic transitions in the frustrated spin- 1 2 capped-kagome antiferromagnet ( RbCl ) Cu 5 P 2 O 10

The structural and magnetic properties of the geometrically frustrated spin- 1 2 capped-kagome antiferromagnet (RbCl) Cu 5 P 2 O 10 are investigated via temperature-dependent x-ray diffraction, magnetization, heat capacity, and 31 P NMR experiments on a polycrystalline sample. It undergoes a structural transition at around T t ≃ 310 K from a high-temperature trigonal (P ¯3m1) to a low-temperature monoclinic (C2/c) unit cell, where the low-temperature structure features the capped-kagome geometry of Cu 2+ ions. Interestingly, it shows the onset of two successive magnetic transitions at T N1 ≃ 20 K and T N2 ≃ 7 K. The shape of the 31 P NMR spectra unfolds the possible nature of the transitions below T N1 and T N2 to be of incommensurate and commensurate antiferromagnetic type, respectively. A large value of the Curie-Weiss temperature as compared to T N1 sets the frustration parameter f ≃ 8, ensuring strong magnetic frustration in the compound. From the 31 P NMR spin-lattice relaxation rate, the leading antiferromagnetic exchange coupling is estimated to be J/k B ≃ 117 K. Furthermore, these unusual double magnetic transitions make this compound beguiling for further investigations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Disorder-induced excitation continuum in a spin- 1 2 cobaltate on a triangular lattice

A spin-1/2 triangular-lattice antiferromagnet is a prototypical frustrated quantum magnet, which exhibits remarkable quantum many-body effects that arise from the synergy between geometric spin frustration and quantum fluctuations. It can host quantum frustrated magnetic topological phenomena such as quantum spin liquid (QSL) states, highlighted by the presence of fractionalized quasiparticles within a continuum of magnetic excitations. Here, in this work, we use neutron scattering to study CoZnMo 3 O 8 , which has a triangular lattice of J eff = 1/2 Co 2+ ions with octahedral coordination. We found a wave-vector-dependent excitation continuum at low energy that disappears with increasing temperature. Although these excitations are reminiscent of a spin excitation continuum in a QSL state, their presence in CoZnMo 3 O 8 originates from magnetic intersite disorder-induced dynamic spin states with peculiar excitations. Our results, therefore, provide direct experimental evidence for the presence of a disorder-induced spin excitation continuum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Controlling inversion disorder in a stoichiometric spinel magnet

In the study of frustrated quantum magnets, it is essential to be able to control the nature and degree of site disorder during the growth process, as many measurement techniques are incapable of distinguishing between site disorder and frustration-induced spin disorder. Pyrochlore-structured spinel oxides can serve as model systems of geometrically frustrated three-dimensional quantum magnets; however, the nature of the magnetism in one well-studied spinel, ZnFe 2 O 4 , remains unclear. Here, we demonstrate simultaneous control of both stoichiometry and inversion disorder in the growth of ZnFe 2 O 4 single crystals, directly yielding a revised understanding of both the collective spin behavior and lattice symmetry. Crystals grown in the stoichiometric limit with minimal site inversion disorder contravene all the previously suggested exotic spin phases in ZnFe 2 O 4 . Furthermore, the structure is confirmed on the F$\bar{4}$3m space group with broken inversion symmetry that induces antiferroelectricity. The effective tuning of magnetic behavior by site disorder in the presence of robust antiferroelectricity makes ZnFe 2 O 4 of special interest to multiferroic devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Magnetoelastic interactions in SrCu 2 (BO 3 ) 2 studied by Raman scattering experiments and first principles calculations

Dynamic and static crystal lattice properties of SrCu 2 (BO 3 ) 2 are studied by means of Raman scattering, magnetostriction, and thermal expansion measurements in magnetic fields to 45 T. Raman experiments versus temperature reveal that some phonon modes show an unusual behavior: their frequencies soften (modes at 200 and 450 cm –1 ) while others harden (modes at 385 and 478 cm –1 ) when decreasing the temperature below 15 K. Magneto-Raman experiments show that their field dependence correlates with their respective temperature dependencies; e.g., modes that are hardened with increasing temperature also harden with applied magnetic fields and modes that become softer with temperature also soften with applied fields. We use density functional theory to successfully model and compute the energies of these modes, classifying them into two types: pantograph (modes that soften when decreasing the temperature) and nonpantograph. We conclude that the former involves the modification of the intradimer exchange interaction J and the latter the interdimer J'. Lastly, dilatometry is used to correlate field-dependent Raman modes to the closing of the spin gap as well as fractional-magnetization stripe states M = 1/4 M s and M = 1/3 M s , where M s is the saturation magnetization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Impact of Erbium Doping in the Structural and Magnetic Properties of the Anisotropic and Frustrated SrYb 2 O 4 Antiferromagnet

We present a systematic study of the structural and magnetic properties of a series of powder samples of SrYb 2-x Er x O 4 with different Yb/Er concentrations. Magnetometry and neutron diffraction have been used to study the magnetic ground states of the compound series, while inelastic neutron scattering was used to investigate the crystal field excitations for a chosen concentration. These results show that the crystal structure remains the same for all compositions, while the lattice parameters increase linearly with the Er content. All compounds showed some type of magnetic transition below 1 K, however, both the magnetic structure and nature of the phase transition vary throughout the series. The samples present a non-collinear magnetic structure with the moments lying on the ab plane for low Er content. For high Er content, the magnetic structure is collinear with the moments aligned along the c-axis. A critical concentration is found where there is a bifurcation between zero-field and field-cooled magnetic susceptibility. This irreversible process could be due to the random mixture of single-ion magnetic anisotropies.

36 MATERIALS SCIENCE↗