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Parker, David S.

Publications and source records attributed to Parker, David S..

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Disentangling electronic, lattice, and spin dynamics in the chiral helimagnet Cr 1/3 NbS 2

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, subpicosecond relaxation and subsequent buildup (τ > 50ps) 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.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

3D printing of anisotropic Sm–Fe–N nylon bonded permanent magnets

Abstract Fabricating a bonded magnet with a near‐net shape in suitable thermoplastic polymer binders is of paramount importance in the development of cost‐effective energy technologies. In this work, anisotropic Sm 2 Fe 17 N 3 (Sm–Fe–N) bonded magnets are additively printed using SmFeN anisotropic magnetic particles in a polymeric binder polyamide‐12 (PA12). The anisotropic SmFeN bonded magnets are fabricated by Big Area Additive Manufacturing followed by post‐printing alignment in a magnetic field. Optimal post‐alignment results in an enhanced remanence of ∼0.68 T in PA12 reflected in a parallel‐oriented (aligned) measured direction. The maximum energy product achieved for the additively printed anisotropic bonded magnet of Sm–Fe–N in PA12 polymer is 78.8 KJ m −3 . Our results show advanced processing flexibility with 3D printing of the development of SmFeN nylon bonded magnets designed for applications with no critical rare earth magnets.

42 ENGINEERING↗
DOE OSTI2021

Robust antiferromagnetism in Y 2 Co 3

We report on a solution-growth based method to synthesise single crystals of Y 2 Co 3 and on its structural and magnetic properties. We find that Y 2 Co 3 crystallizes in the La 2 Ni 3 -type orthorhombic structure with space group Cmce (No. 64), with Co forming distorted kagome lattices. Y 2 Co 3 orders antiferromagnetically below TN=252 K. Magnetization measurements reveal that the moments are primarily aligned along the b axis with evidence for some canting. Band-structure calculations indicate that ferromagnetic and antiferromagnetic orders are nearly degenerate, at odds with experimental results. Magnetization measurements under pressure up to 1 GPa reveal that the Néel temperature decreases with the slope of -1.69 K/GPa. We observe a field-induced spin-flop transition in the magnetization measurements at 1.5 K and 21 T with magnetic field along the b direction. The magnetization is not saturated up to 35 T, indicating that the antiferromagnetic ordering in Y 2 Co 3 is quite robust, which is surprising for such a Co-rich intermetallic.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Competitive and cooperative electronic states in Ba(Fe1−xTx)2As2 with T = Co, Ni, Cr

Abstract The electronic inhomogeneities in Co, Ni, and Cr doped BaFe 2 As 2 single crystals are compared within three bulk property regions: a pure superconducting (SC) dome region, a coexisting SC and antiferromagnetic (AFM) region, and a non-SC region. Machine learning is utilized to categorize the inhomogeneous electronic states: in-gap, L-shape, and S-shape states. Although the relative percentages of the states vary in the three samples, the total volume fraction of the three electronic states is quite similar. This is coincident with the number of electrons (Ni 0.04 and Co 0.08 ) and holes (Cr 0.04 ) doped into the compounds. The in-gap state is confirmed as a magnetic impurity state from the Co or Ni dopants, the L-shape state is identified as a spin density wave which competes with the SC phase, and the S-shape state is found to be another form of magnetic order which constructively cooperates with the SC phase, rather than competing with it.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Chloride Reduction of Mn 3+ in Mild Hydrothermal Synthesis of a Charge Ordered Defect Pyrochlore, CsMn 2+ Mn 3+ F 6 , a Canted Antiferromagnet with a Hard Ferromagnetic Component

Geometrically frustrated systems play an important role in studying new physical phenomena and unconventional thermodynamics. Charge ordered defect pyrochlores AM 2+ M 3+ F 6 offer a convenient platform for probing the interplay between electron distribution over M 2+ and M 3+ sites and structural distortions; however, they are limited to compounds with M 2+/3+ = V, Fe, Ni, and Cu due to difficulties in the simultaneous stabilization of other 3d elements in the +2 and +3 oxidation states. Herein, we employ Cl– anions under hydrothermal conditions for the mild reduction of Mn 2 O 3 in concentrated HF to obtain the CsMn 2+ Mn 3+ F 6 composition as a phase pure sample and study its properties. The magnetism of CsMn 2 F 6 was characterized by measuring the magnetic susceptibility and isothermal magnetization data, and a magnetic transition to a canted antiferromagnet state was found at 24.1 K. We determined the magnetic structure of CsMn 2 F 6 using powder neutron diffraction, which revealed successive long-range ordering of the Mn 2+ and Mn 3+ sites that is accompanied by a second transition. As a result, the role and strength of magnetic exchange interactions were characterized using DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Magnetic properties of the Shastry-Sutherland lattice material BaNd 2 ZnO 5

We investigate the physical properties of the Shastry-Sutherland lattice material BaNd 2 ZnO 5 . Neutron diffraction, magnetic susceptibility, and specific heat measurements reveal antiferromagnetic order below 1.65 K. The magnetic order is found to be a 2–Q magnetic structure with the magnetic moments lying in the Shastry-Sutherland lattice planes comprising the tetragonal crystal structure of BaNd 2 ZnO 5 . The ordered moment for this structure is 1.9(1) μB per Nd ion. Inelastic neutron scattering measurements reveal that the crystal field ground state doublet is well separated from the first excited state at 8 meV. The crystal field Hamiltonian is determined through simultaneous refinement of models with both the LS coupling and intermediate coupling approximations to the inelastic neutron scattering and magnetic susceptibility data. The ground state doublet indicates that the magnetic moments lie primarily in the basal plane with magnitude consistent with the size of the determined ordered moment.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Relationship between A-site cation and magnetic structure in 3d–5d–4f double perovskite iridates Ln 2 NiIrO 6 ( Ln = La, Pr, Nd)

We report a comprehensive investigation of Ln 2 NiIrO 6 (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 La 2 NiIrO 6 , a collinear ferrimagnetic Ni and Ir state that is driven to long-range antiferromagnetism upon the onset of Nd ordering in Nd 2 NiIrO 6 , and a noncollinear ferrimagnetic Ni and Ir sublattice interpenetrated by a ferromagnetic Pr lattice for Pr 2 NiIrO 6 . For Pr 2 NiIrO 6 , 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. Here, a first principles DFT calculation elucidates the existence of the two independent magnetic sublattices within Pr 2 NiIrO 6 and offers insight into the behavior in La 2 NiIrO 6 and Nd 2 NiIrO 6 . Resonant inelastic x-ray scattering is consistent with spin-orbit coupling splitting the t 2 g manifold of octahedral Ir 4+ into a J eff = 1/2 and J eff = 3/2 state for all members of the series considered.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Hierarchical excitations from correlated spin tetrahedra on the breathing pyrochlore lattice

The hierarchy of the coupling strengths in a physical system often engenders an effective model at low energies where the decoupled high-energy modes are integrated out. Here, using neutron scattering, we show that the spin excitations in the breathing pyrochlore lattice compound CuInCr 4 S 8 are hierarchical and can be approximated by an effective model of correlated tetrahedra at low energies. At higher energies, intratetrahedron excitations together with strong magnon-phonon couplings are observed, which suggests the possible role of the lattice degree of freedom in stabilizing the spin tetrahedra. Finally, our work illustrates the spin dynamics in CuInCr 4 S 8 and demonstrates a general effective-cluster approach to understand the dynamics on the breathing-type lattices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetoelastic coupling, negative thermal expansion, and two-dimensional magnetic excitations in FeAs

We present a temperature-dependent investigation of the local structure and magnetic dynamics of the FeAs binary. The magnetic susceptibility χ (T) result shows an anomalous broad feature up to 550 K, with χ continuing to increase above the Néel antiferromagnetic ordering temperature (T N =70K), peaking at ~250 K, then decreasing gently above. It is remarkable that this peak susceptibility temperature corresponds to the onset of anisotropic negative thermal expansion in both the a and c axes, suggesting that magnetic interactions are affecting the structure even well above the Néel point. A systematic investigation into local bonding correlations, from time-of-flight neutron pair distribution function analyses, shows the octahedral volume around each Fe site growing monotonically while adjacent octahedra tilt toward one another before relaxing away past this peak in the anomalous magnetic susceptibility. We use inelastic-neutron scattering to map spin-wave excitations in FeAs at temperatures above and below the T N . We find magnetic excitations near T N to be very different from the excitations in the ground state at 1.5 K. Spin waves measured at 1.5 K are three dimensional (3D), however, in the vicinity of the magnetic transition, the magnetic fluctuations clearly indicate two-dimensional (2D) character in this intrinsically 3D crystal structure. Unlike the undoped 2D parents of iron-arsenide superconductors, where the magnetic correlations are considerably weaker along the c axis than in the ab plane, inelastic neutron scattering here shows that the spin fluctuations in the 3D FeAs binary are nearly 2D in the bc plane at 90 K. These results demonstrate the importance of short-range correlations in understanding the magnetic properties of transition-metal binaries, and suggest how 2D excitations, even in a 3D structure, can potentially become a breeding ground for unconventional superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Effect of atom substitutions on the magnetic properties in Ce 2 Fe 17 : Toward permanent magnet applications

Due to the rapidly developing technologies and huge market demand, there has been increasing interest internationally in exploring permanent magnet formulations in addition to the well-known Nd 2 Fe 14 B and SmCo 5 /Sm 2 Co 17 . Given Fe's low materials cost and generally high magnetization, Fe-rich rare earth binaries such as Ce 2 Fe 17 comprise a rich “hunting ground” for such new materials. While this compound suffers from a low ordering point and is a heli magnet, these difficulties are easily remedied by the substitution of appropriate amounts of cobalt for Fe, with room-temperature saturation magnetization as high as 1.5 T. In this work, we try to switch the all-important magnetic anisotropy from planar to uniaxial behavior in Ce 2 Fe 17 via 18 h - and 6 c -type atom substitutions with Si, Ir, and numerous other atoms. The uniaxial magnetocrystalline anisotropy is successfully achieved in the 6 c -site-substituted Ce 2 Fe 15 Ir 2 systems, along with large magnetization. We find that iridium substitution, in particular, induces a substantial uniaxial anisotropy of 11.25 MJ/m 3 , which is comparable to most of the current rare earth permanent magnets. Although the iridium substitution is costly, the finding of Ir-triggered uniaxial magnetic anisotropy indicates the potential of Ce–Fe-based alloys for permanent magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Semihard Iron-Based Permanent-Magnet Materials

Permanent magnets generally require a favorable, but difficult-to-achieve combination of high magnetization, Curie point, and magnetic anisotropy. Thus there have been few, if any, viable permanent magnets developed since the 1982 discovery of Nd 2 Fe 14 B. In this work we point out, both by direct first-principles calculations on the iron carbides and silicides Fe 5 C 2 , Fe 5 SiC, and Fe 7 C 3 as well as a discussion of recent experimental findings, that there are numerous rare-earth-free iron-rich potential permanent-magnet materials with sufficient intrinsic magnetic properties to reasonably achieve room-temperature energy products of 20–25 MG Oe. This is substantially better than the performance of the best available rare-earth-free magnets based on ferrite, as well as shape-anisotropy-employing alnico. These magnets could plausibly fill, at low cost, the present performance “gap” between the best rare-earth-free magnets and rare-earth magnets such as Nd 2 Fe 14 B and Sm-Co.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Van Hove singularity in the magnon spectrum of the antiferromagnetic quantum honeycomb lattice

In quantum magnets, magnetic moments fluctuate heavily and are strongly entangled with each other, a fundamental distinction from classical magnetism. Here, with inelastic neutron scattering measurements, we probe the spin correlations of the honeycomb lattice quantum magnet YbCl 3 . A linear spin wave theory with a single Heisenberg interaction on the honeycomb lattice, including both transverse and longitudinal channels of the neutron response, reproduces all of the key features in the spectrum. In particular, we identify a Van Hove singularity, a clearly observable sharp feature within a continuum response. The demonstration of such a Van Hove singularity in a two-magnon continuum is important as a confirmation of broadly held notions of continua in quantum magnetism and additionally because analogous features in two-spinon continua could be used to distinguish quantum spin liquids from merely disordered systems. These results establish YbCl 3 as a benchmark material for quantum magnetism on the honeycomb lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Cluster Frustration in the Breathing Pyrochlore Magnet LiGaCr 4 S 8

We present a comprehensive neutron scattering study of the breathing pyrochlore magnet LiGaCr 4 S 8 . We observe an unconventional magnetic excitation spectrum with a separation of high and low-energy spin dynamics in the correlated paramagnetic regime above a spin-freezing transition at 12(2) K. By fitting to magnetic diffuse-scattering data, we parameterize the spin Hamiltonian. We find that interactions are ferromagnetic within the large and small tetrahedra of the breathing pyrochlore lattice, but antiferromagnetic further-neighbor interactions are also essential to explain our data, in qualitative agreement with density-functional theory predictions [Ghosh et al., npj Quantum Mater. 4, 63 (2019)]. We explain the origin of geometrical frustration in LiGaCr 4 S 8 in terms of net antiferromagnetic coupling between emergent tetrahedral spin clusters that occupy a face-centered lattice. Furthermore, our results provide insight into the emergence of frustration in the presence of strong further-neighbor couplings, and a blueprint for the determination of magnetic interactions in classical spin liquids.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Evidence of Ba-substitution induced spin-canting in the magnetic Weyl semimetal EuCd 2 As 2

Recently EuCd 2 As 2 was predicted to be a magnetic Weyl semimetal with a lone pair of Weyl nodes generated by A-type antiferromagnetism and protected by a rotational symmetry. However, it was soon discovered that the actual magnetic structure broke the rotational symmetry and internal pressure was later suggested as a route to stabilize the desired magnetic state. In this work we test this prediction by synthesizing a series of Eu 1-x BaxCd 2 As 2 single crystals and studying their structural, magnetic, and transport properties via both experimental techniques and first-principles calculations. We find that small concentrations of Ba (~3%–10%) lead to a small out-of-plane canting of the Eu moment. However, for higher concentrations this effect is suppressed and a nearly in-plane model is recovered. Studying the transport properties we find that all compositions show evidence of an anomalous Hall effect dominated by the intrinsic mechanism as well as large negative magnetoresistances in the longitudinal channel. A nonmonotonic evolution of the transport properties is seen across the series which correlates to the proposed canting suggesting canting may enhance the topological effects. Careful density functional theory calculations using an all-electron approach revise prior predictions finding a purely ferromagnetic ground state with in-plane moments for both the EuCd 2 As 2 and Eu 0.5 Ba 0.5 Cd 2 As 2 compounds, corroborating our experimental findings. This work suggests that Ba substitution can tune the magnetic properties in unexpected ways which correlate to changes in measures of topological properties, encouraging future work to locate the ideal Ba concentration for Eu moment canting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Out-of-Plane Magnetic Anisotropy Engineered via Band Distortion in Two-Dimensional Materials

We unveil the connection between magnetic anisotropy and band structures in Γ-specialized In 2 Se 3 /Fe 3 GeTe 2 heterostructure, through first-principles calculations. A significant band distortion occurs near the Γ point with a formed valley. As the band-distortion-caused valley moves relative to the quasivalence band maximum, the magnetic anisotropy switches between in-plane and out-of-plane magnetic anisotropy. Such a rule applies to either the strained or polarization-switched In 2 Se 3 /Fe 3 GeTe 2 heterostructure. Furthermore, these findings demonstrate the feasibility of predicting the magnetic anisotropy by band structure modification in two-dimensional magnetic systems.

2-dimensional systems↗
DOE OSTI2020

Superconductivity with T c ≈ 7 K under pressure for Cu- and Au-doped BaFe 2 As 2

It is noteworthy that chemical substitution of BaFe 2 As 2 (122) with the noble elements Cu and Au gives superconductivity with a maximum T c ≈ 3 K, while Ag substitution (Ag-122) stays antiferromagnetic. For Ba(Fe 1–x TM x ) 2 As 2 , 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 T c 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. Further, 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.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Lattice instabilities and phonon thermal transport in TlBr

Materials with simple crystal structure usually exhibit substantial lattice thermal conductivity ( κ latt ) due to a scarcity of strong phonon-phonon scattering channels. Yet here we find simple CsCl-structure TlBr to have an extremely low room temperature κ latt ~ 0.5 W / m-K , while at low temperature we find a high κ latt of 155 W / m-K . This extreme range of conductivity behavior results from lattice-instability-related anharmonicity, effective only at temperatures above ~ 30 K . Manipulating these instabilities (e.g., pressure, strain) may yield a pathway to ultralow thermal conductivity via intrinsic phonon resistance in similar materials.

36 MATERIALS SCIENCE↗