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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Experimental evidence of a collinear antiferromagnetic ordering in the frustrated CoAl2O4 spinel

Nuclear magnetic resonance (NMR), neutron diffraction (ND), x-ray diffraction, magnetic susceptibility χ, and specific-heat measurements on the frustrated A-site spinel CoAl2O4 compound reveal a collinear antiferromagnetic ordering below TN = 9.8(2) K. A high-quality powder sample characterized by x-ray diffraction that indicates a relatively low Co-Al inversion parameter x=0.057(20) in (Co1-xAlx)[Al2-xCox]O4, shows a broad maximum around 15 K in χ(T) and a sharp peak at TN in heat capacity Cp. The average-ordered magnetic moment of Co2+ (S=32) ions at the A site is estimated to be 2.4(1) μB from NMR and 1.9(5) μB from ND which are smaller than the expected value of 3 μB for S=32 and g = 2. Antiferromagnetic spin fluctuations and correlations in the paramagnetic state are revealed from the χ, NMR, and ND measurements, which are due to spin frustration and site inversion effects in the system. The ND data also show short-range dynamic magnetic ordering that persists to a temperature that is almost twice TN.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Spin ordering and dynamics in the frustrated antiferromagnet YBaCo 4 O 7.1

The stoichiometric 114-layered material YBaCo407 exhibits long-range antiferromagnetic order below a Neel temperature of 106 K. Nonstoichiometric YBaCo4O7.1. which contains a relatively small amount (1.4%) of interstitial oxygen, has recently been shown to have drastically modified magnetic properties compared to the parent compound. The present experiments have used magnetization, ac susceptibility, and zero applied field NMR to study the spin configuration and spin dynamics in a single crystal of YBaCo4O7.1 as a function of temperature below 100 K. Evidence has been obtained for a magnetic transition at 80 K corresponding to some form of spin freeze-out. Based on previous results for the stoichiometric material, it is likely that the freezing process involves spins in the triangular layers in this frustrated antiferromagnet. At lower temperatures, dynamic effects persist and below 50 K a fraction of the spins, located primarily in the kagom.e layers, constitute what may be termed a viscous spin liquid component. For T < 10 K, a disordered or glasslike spin structure, with a large distribution of spin correlation times, emerges as the low-temperature state of the spin system.

Yuan, S.↗
DOE OSTI2014

Fragile antiferromagnetism in the heavy-fermion compound YbBiPt

We report results from neutron scattering experiments on single crystals of YbBiPt that demonstrate antiferromagnetic order characterized by a propagation vector, τAFM = (121212), and ordered moments that align along the [1 1 1] direction of the cubic unit cell. We describe the scattering in terms of a two-Gaussian peak fit, which consists of a narrower component that appears below TN≈0.4 K and corresponds to a magnetic correlation length of ξn≈ 80 Å, and a broad component that persists up to T*≈ 0.7 K and corresponds to antiferromagnetic correlations extending over ξb≈ 20 Å. Our results illustrate the fragile magnetic order present in YbBiPt and provide a path forward for microscopic investigations of the ground states and fluctuations associated with the purported quantum critical point in this heavy-fermion compound.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Spin reorientation and Ce-Mn coupling in antiferromagnetic oxypnictide CeMnAsO

Structure and magnetic properties of high-quality polycrystlline CeMnAsO, a parent compound of the “1111”-type oxypnictides, have been investigated using neutron powder diffraction and magnetization measurements. We find that CeMnAsO undergoes a C-type antiferromagnetic order with Mn 2+ (S = 5/2) moments pointing along the c axis below a relatively high Néel temperature of T N = 347(1) K. Below T SR = 35 K, two simultaneous transitions occur where the Mn moments reorient from the c axis to the ab plane preserving the C-type magnetic order, and Ce moments undergo long-range AFM ordering with antiparallel moments pointing in the ab plane. Another transition to a noncollinear magnetic structure occurs below 7 K. The ordered moments of Mn and Ce at 2 K are 3.32(4) μ B and 0.81(4)μ B , respectively. We find that CeMnAsO primarily falls into the category of a local-moment antiferromagnetic insulator in which the nearest-neighbor interaction (J 1 ) is dominant with J 2 < J 1 /2 in the context of J 1 – J 2 – J c model. The spin reorientation transition driven by the coupling between Ce and the transition metal seems to be common to Mn, Fe, and Cr ions, but not to Co and Ni ions in the isostructural oxypnictides. As a result, a schematic illustration of magnetic structures in Mn and Ce sublattices in CeMnAsO is presented.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The frustrated fcc antiferromagnet Ba 2 YOsO 6 : Structural characterization, magnetic properties and neutron scattering studies

Here we report the crystal structure, magnetization, and neutron scattering measurements on the double perovskite Ba 2 YOsO 6 . The Fm$\bar{3}$m space group is found both at 290 K and 3.5 K with cell constants a 0 =8.3541(4) Å and 8.3435(4) Å, respectively. Os 5+ (5d 3 ) ions occupy a nondistorted, geometrically frustrated face-centered-cubic (fcc) lattice. A Curie-Weiss temperature θ ~₋700 K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long-range antiferromagnetic order, consistent with a type-I fcc state below T N ~69 K, is revealed by magnetization, Fisher heat capacity, and elastic neutron scattering, with an ordered moment of 1.65(6) μ B on Os 5+ . The ordered moment is much reduced from either the expected spin-only value of ~3 μ B or the value appropriate to 4d 3 Ru 5+ in isostructural Ba 2 YRuO 6 of 2.2(1) μ B , suggesting a role for spin-orbit coupling (SOC). Triple-axis neutron scattering measurements of the order parameter suggest an additional first-order transition at T=67.45 K, and the existence of a second-ordered state. We find time-of-flight inelastic neutron results reveal a large spin gap Δ~17 meV, unexpected for an orbitally quenched, d 3 electronic configuration. In conclusion, we discuss this in the context of the ~5 meV spin gap observed in the related Ru 5+ ,4d 3 cubic double perovskite Ba 2 YRuO 6 , and attribute the ~3 times larger gap to stronger SOC present in this heavier, 5d, osmate system.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Antiferromagnetic structures and electronic energy levels at reconstructed NiO(111) surfaces: A DFT + U study

In this work, we studied how the surface reconstruction and passivation influence the antiferromagnetic and electronic structures of NiO(111) surface using first-principles electronic structure calculations. These features lead to a surprisingly wide variety of different surface electronic structures, and some surfaces are even metallic. Different reconstructions and surface passivation were also found to qualitatively alter the charge-transfer band gap type of bulk NiO. At the same time, the antiferromagnetic character of bulk NiO in the 111 direction is retained even near the surface, and the magnetic moment quickly converges to the bulk value within a few surface layers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Antiferromagnetic Kondo lattice in the layered compound CePd 1 - x Bi 2 and comparison to the superconductor LaPd 1 - x Bi 2

ZrCuSi 2 -type CePd 1-x Bi 2 crystals were obtained from excess Bi flux. Magnetic susceptibility measurements reveal that CePd 1-x Bi 2 is a highly anisotropic antiferromagnet with transition temperature at 6 K, and a magnetic-field-induced metamagnetic transition at 5 T. An enhanced Sommerfeld coefficient of γ of 0.199 J-mol-Ce -1 K -2 obtained from specific heat measurements suggests a moderate Kondo effect in CePd 1-x Bi 2 . In addition to the antiferromagnetic peak the resistivity curve shows a shoulder-like behavior which could be attributed to the presence of Kondo effect and crystal-electric-field effects in this compound. Magnetoresistance and Hall effect measurements suggest an interplay between Kondo and crystal-electric-field effects which reconstructs the Fermi surface topology of CePd 1-x Bi 2 around 75 K. Electronic structure calculations reveal the Pd vacancies are important to the magnetic structure and enhance the crystal-electric-field effects which quench the orbital moment of Ce at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Controlling the switching field in nanomagnets by means of domain-engineered antiferromagnets

Using soft x-ray spectromicroscopy, we investigate the magnetic domain structure in embedded nanomagnets defined in La 0.7 Sr 0.3 MnO 3 thin films and LaFeO 3 /La 0.7 Sr 0.3 MnO 3 bilayers. We find that shape-controlled antiferromagnetic domain states give rise to a significant reduction of the switching field of the rectangular nanomagnets. This is discussed within the framework of competition between an intrinsic spin-flop coupling and shape anisotropy. In conclusion, the data demonstrates that shape effects in antiferromagnets may be used to control the magnetic properties in nanomagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Itinerant Antiferromagnetism in FeMnP 0.8 Si 0.2

Compounds based on the Fe 2 P structure have continued to attract interest because of the interplay between itinerant and localized magnetism in a noncentrosymmetric crystal structure, and because of the recent developments of these materials for magnetocaloric applications. We report the growth and characterization of millimeter-sized single crystals of FeMnP 0.8 Si 0.2 with the Fe 2 P structure. Single-crystal x-ray diffraction, magnetization, resistivity, and Hall and heat capacity data are reported. The crystals exhibit itinerant antiferromagnetic order below 158 K with no hint of ferromagnetic behavior in the magnetization curves and with the spins ordered primarily in the ab plane. The room-temperature resistivity is close to the Ioffe-Regel limit for a metal. Single-crystal x-ray diffraction indicates a strong preference for Mn to occupy the larger pyramidal 3g site. The cation site preference in the as-grown crystals and the antiferromagnetism were not changed after high-temperature anneals and a rapid quench to room temperature

36 MATERIALS SCIENCE↗
DOE OSTI2015

Order and excitations in large-S kagomé-lattice antiferromagnets

In this work, we systematically investigate the ground-state and the spectral properties of antiferromagnets on a kagomé lattice with several common types of the planar anisotropy: XXZ, single-ion, and out-of-plane Dzyaloshinskii-Moriya. Our main focus is on the role of nonlinear, anharmonic terms, which are responsible for the quantum order-by-disorder effect and for the corresponding selection of the ground-state spin structure in many of these models. The XXZ and the single-ion anisotropy models exhibit a quantum phase transition between the q=0 and the $\sqrt{3}$ ×$\sqrt{3}$ states as a function of the anisotropy parameter, offering a rare example of the quantum order-by-disorder fluctuations favoring a ground state which is different from the one selected by thermal fluctuations. The nonlinear terms are also shown to be crucial for a very strong near-resonant decay phenomenon leading to the quasiparticle breakdown in the kagomé-lattice antiferromagnets whose spectra are featuring flat or weakly dispersive modes. The effect is shown to persist even in the limit of large spin values and should be common to other frustrated magnets with flat branches of excitations. Model calculations of the spectrum of the S=5/2 Fe-jarosite with Dzyaloshinskii-Moriya anisotropy provide a convincing and detailed characterization of the proposed scenario.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Equilibrium, metastability, and hysteresis in a model spin-crossover material with nearest-neighbor antiferromagnetic-like and long-range ferromagnetic-like interactions

Phase diagrams and hysteresis loops were obtained by Monte Carlo simulations and a mean- field method for a simplified model of a spin-crossovermaterialwith a two-step transition between the high-spin and low-spin states. This model is a mapping onto a square-lattice S = 1/2 Ising model with antiferromagnetic nearest-neighbor and ferromagnetic Husimi-Temperley ( equivalent-neighbor) long-range interactions. Phase diagrams obtained by the two methods for weak and strong long-range interactions are found to be similar. However, for intermediate-strength long-range interactions, the Monte Carlo simulations show that tricritical points decompose into pairs of critical end points and mean-field critical points surrounded by horn-shaped regions of metastability. Hysteresis loops along paths traversing the horn regions are strongly reminiscent of thermal two-step transition loops with hysteresis, recently observed experimentally in several spin-crossover materials. As a result, we believe analogous phenomena should be observable in experiments and simulations for many systems that exhibit competition between local antiferromagnetic-like interactions and long-range ferromagnetic-like interactions caused by elastic distortions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Coupled antiferromagnetic spin- 1 2 chains in green dioptase Cu 6 [ Si 6 O 18 ] · 6 H 2 O

In this paper, we report inelastic neutron scattering measurements of the magnetic excitations of green dioptase Cu 6 [Si 6 O 18 ]∙6H 2 O. The observed spectrum contains two magnetic modes and a prominent spin gap that is consistent with the ordered ground state of Cu moments coupled antiferromagnetically in spiral chains along the c axis and ferromagnetically in ab planes on the hexagonal cell. The data are in excellent agreement with a spin- 1 2 Hamiltonian that includes antiferromagnetic nearest-neighbor intrachain coupling J c =10.6(1) meV, ferromagnetic interchain coupling J ab =₋1.2 (1) meV, and exchange anisotropy ΔJ c =0.14(1) meV. We calculated the sublattice magnetization to be strongly reduced, ~0.39μ B . This appears compatible with a reduced Néel temperature, T N =14.5K< c , and can be explained by a presence of quantum spin fluctuations

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Partially disordered antiferromagnetism and multiferroic behavior in a frustrated Ising system CoCl 2 – 2 SC ( NH 2 ) 2

We investigate partially disordered antiferromagnetism in CoCl 2 -2SC(NH 2 ) 2 , in which ab-plane hexagonal layers are staggered along the c axis rather than stacked. A robust 1/3 state forms in applied magnetic fields in which the spins are locked, varying as a function of neither temperature nor field. By contrast, in zero field and applied fields at higher temperatures, partial antiferromagnetic order occurs, in which free spins are available to create a Curie-like magnetic susceptibility. We report measurements of the crystallographic structure and the specific heat, magnetization, and electric polarization down to T = 50mK and up to μ0 H = 60T. The Co 2+ S = 3/2 spins are Ising-like and form distorted hexagonal layers. The Ising energy scale is well separated from the magnetic exchange, and both energy scales are accessible to the measurements, allowing us to cleanly parametrize them. In transverse fields, a quantum Ising phase transition can be observed at 2 T. Lastly, we find that magnetic exchange striction induces changes in the electric polarization up to 3μC/m 2 , and single-ion magnetic anisotropy effects induce a much larger electric polarization change of 300μC/m 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe 1-x Se x

It has recently been demonstrated that dynamical magnetic correlations measured by neutron scattering in iron chalcogenides can be described with models of short-range correlations characterized by particular choices of four-spin plaquettes, where the appropriate choice changes as the parent material is doped towards superconductivity. Here we apply such models to describe measured maps of magnetic scattering as a function of two-dimensional wave vectors obtained for optimally superconducting crystals of FeTe 1–x Se x . We show that the characteristic antiferromagnetic wave vector evolves from that of the bicollinear structure found in underdoped chalcogenides (at high temperature) to that associated with the stripe structure of antiferromagnetic iron arsenides (at low temperature); these can both be described with the same local plaquette, but with different interplaquette correlations. While the magnitude of the low-energy magnetic spectral weight is substantial at all temperatures, it actually weakens somewhat at low temperature, where the charge carriers become more itinerant. The observed change in spin correlations is correlated with the dramatic drop in the electronic scattering rate and the growth of the bulk nematic response upon cooling. Lastly, we also present powder neutron diffraction results for lattice parameters in FeTe 1–x Se x indicating that the tetrahedral bond angle tends to increase towards the ideal value upon cooling, in agreement with the increased screening of the crystal field by more itinerant electrons and the correspondingly smaller splitting of the Fe 3d orbitals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Structural and magnetic characterization of the one-dimensional S = 5/2 antiferromagnetic chain system SrMn(VO 4 )(OH)

The descloizite-type compound, SrMn(VO 4 )(OH), was synthesized as large single crystals (1-2mm) using a high-temperature high-pressure hydrothermal technique. X-ray single crystal structure analysis reveals that the material crystallizes in the acentric orthorhombic space group of P2 1 2 1 2 1 (no. 19), Z = 4. The structure exhibits a one-dimensional feature, with [MnO 4 ] chains propagating along the a-axis which are interconnected by VO 4 tetrahedra. Raman and infrared spectra were obtained to identify the fundamental vanadate and hydroxide vibrational modes. Magnetization data reveal a broad maximum at approximately 80 K, arising from one-dimensional magnetic correlations with intrachain exchange constant of J/k B = 9.97(3) K between nearest Mn neighbors and a canted antiferromagnetic behavior below T N = 30 K. Single crystal neutron diffraction at 4 K yielded a magnetic structure solution in the lower symmetry of the magnetic space group P2 1 with two unique chains displaying antiferromagnetically ordered Mn moments oriented nearly perpendicular to the chain axis. Lastly, the presence of the Dzyaloshinskii Moriya antisymmetric exchange interaction leads to a slight canting of the spins and gives rise to a weak ferromagnetic component along the chain direction.

36 MATERIALS SCIENCE↗
DOE OSTI2016

EuCo 2 P 2 : A Model Molecular-Field Helical Heisenberg Antiferromagnet

The metallic compound EuCo 2 P 2 with the body-centered tetragonal ThCr 2 Si 2 structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below T N =66.5 K with the helix axis along the c axis and with the ordered moments aligned within the ab plane. Here we report crystallography, electrical resistivity, heat capacity, magnetization, and magnetic susceptibility measurements on single crystals of this compound. We demonstrate that EuCo 2 P 2 is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility χ, high-field magnetization, and magnetic heat capacity of EuCo 2 P 2 single crystals at temperature T≤TN with the predictions of our recent formulation of molecular-field theory. Values of the Heisenberg exchange interactions between the Eu spins are derived from the data. The low-T magnetic heat capacity ~T 3 arising from spin-wave excitations with no anisotropy gap is calculated and found to be comparable to the lattice heat capacity. The density of states at the Fermi energy of EuCo 2 P 2 and the related compound BaCo 2 P 2 are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo 2 P 2 and BaCo 2 P 2 , respectively. These values are enhanced by a factor of ~2.5 above those found from DFT electronic structure calculations for the two compounds. Additionally, the calculations also find ferromagnetic Eu–Eu exchange interactions within the ab plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of χ ab (T≤TN).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Neutron spin-echo study of the critical dynamics of spin- 5 2 antiferromagnets in two and three dimensions

Here, we report a neutron spin-echo study of the critical dynamics in the S= 5 2 antiferromagnets MnF 2 and Rb 2 MnF 4 with three-dimensional (3D) and two-dimensional (2D) spin systems, respectively, in zero external field. Both compounds are Heisenberg antiferromagnets with a small uniaxial anisotropy resulting from dipolar spin-spin interactions, which leads to a crossover in the critical dynamics close to the Néel temperature, T N . By taking advantage of the μeV energy resolution of the spin-echo spectrometer, we have determined the dynamical critical exponents z for both longitudinal and transverse fluctuations. In MnF 2 , both the characteristic temperature for crossover from 3D Heisenberg to 3D Ising behavior and the exponents z in both regimes are consistent with predictions from the dynamical scaling theory. The amplitude ratio of longitudinal and transverse fluctuations also agrees with predictions. In Rb 2 MnF 4 , the critical dynamics crosses over from the expected 2D Heisenberg behavior for T » T N to a scaling regime with exponent z = 1.387(4), which has not been predicted by theory and may indicate the influence of long-range dipolar interactions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Metallic behavior induced by potassium doping of the trigonal antiferromagnetic insulator EuMn 2 As 2

Here, we report magnetic susceptibility χ, isothermal magnetization M, heat capacity C p , and electrical resistivity ρ measurements on undoped EuMn 2 As 2 and K-doped Eu 0.96 K 0.04 Mn 2 As 2 and Eu 0.93 K 0.07 Mn 2 As 2 single crystals with the trigonal CaAl 2 Si 2 -type structure as a function of temperature T and magnetic field H. EuMn 2 As 2 has an insulating ground state with an activation energy of 52 meV and exhibits antiferromagnetic (AFM) ordering of the Eu +2 spins S=7/2 at T N1 =15 K from C p (T) and χ(T) data with a likely spin-reorientation transition at T N2 =5.0 K. The Mn +2 3d 5 spins-5/2 exhibit AFM ordering at T N =142 K from all three types of measurements. The M(H) isotherm and χ(T) data indicate that the Eu AFM structure is both noncollinear and noncoplanar. The AFM structure of the Mn spins is also unclear. A 4% substitution of K for Eu in Eu 0.96 K 0.04 Mn 2 As 2 is sufficient to induce a metallic ground state. We found evidence for a difference in the AFM structure of the Eu moments in the metallic crystals from that of undoped EuMn 2 As 2 versus both T and H. For metallic Eu 0.96 K 0.04 Mn 2 As 2 and Eu 0.93 K 0.07 Mn 2 As 2 , an anomalous S-shape T dependence of ρ related to the Mn magnetism is found. Upon cooling from 200 K, ρ exhibits a strong negative curvature, reaches maximum positive slope at the Mn T N ≈150 K, and then continues to decrease but more slowly below T N . Finally, this suggests that dynamic short-range AFM order of the Mn spins above the Mn T N strongly suppresses the resistivity, contrary to the conventional decrease of ρ that is only observed upon cooling below T N of an antiferromagnet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗