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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Impact of further-range exchange and cubic anisotropy on magnetic excitations in the fcc kagome antiferromagnet IrMn 3

Here, this work investigates the effects of further neighbor exchange and cubic anisotropy on the magnetic excitations of the fcc kagome antiferromagnet IrMn 3 . Spin wave frequencies are calculated using the torque equation and the dynamical structure factor S(Q,ω) is determined by a Green's function method as an extension of our previous work [LeBlanc et al. Phys. Rev. B 90, 144403 (2014)]. These spin wave calculations are compared with inelastic neutron scattering data of polycrystalline IrMn 3 , where magnetic Mn ions occupy lattice sites of ABC-stacked kagome planes. The data are best explained by a spin wave model including exchange interactions up to fourth nearest neighbor and strong cubic anisotropy, as previously predicted by density functional theory calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Multinuclear compounds of s-elements with sterically hindered о-semiquinonates and catecholates

Alkali metals form mutinuclear compounds with redox-active singly and doubly reduced derivatives of sterically of hindered о-benzoquinones. Complexes [Na{sub 6}(Cat){sub 3}(THF){sub 7}]•4THF, [Na{sub 5}(Cat){sub 2}(SQ)(THF){sub 5}], [Na{sub 4}(SQ){sub 4}(THF){sub 4}]•THF•C{sub 6}H{sub 14}, [Na{sub 4}(3,5-SQ){sub 4}(THF){sub 4}], [K{sub 4}(SQ){sub 4}(THF){sub 4}]•4THF and [Li{sub 3}(SQ){sub 3}(THF){sub 3}]•THF (Cat is catecholate, SQ is semiquinonate) possessing high sensitivity to atmospheric oxygen were synthesized and their structures were determined. Magnetochemical measurements and quantum chemical calculations revealed that variation of the alkali metal and/or change in the structure of the polymetallic core significantly affect the energy of exchange interaction between the unpaired electrons of the paramagnetic ligands framing the polynuclear metal core formed by s-elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Synthesis, characterization and magnetic properties of a manganese (II) silicate containing frustrated S=5/2 zig–zag ladders

The hydrothermal synthesis, structural characterization and magnetic properties of a manganese silicate with ideal formula of NaMn{sub 2}Si{sub 3}O{sub 8}(OH) is reported. This compound is a synthetic analog to the naturally occurring mineral Serandite. The crystal structure comprises MnO{sub 6} octahedra and SiO{sub 4} tetrahedra. The MnO{sub 6} share four edges with neighboring octahedra forming double chains. These chains are connected by silicate chains Si{sub 3}O{sub 8}(OH) resulting in an open framework structure with six-member ring channels where sodium ions are located. From the magnetic point of view, the intra-chain exchange between neighboring S=5/2 manganese ions is weak, partly due to the distortion observed in the octahedra, but also due to the frustrated topology of the chain. A successful fitting of the magnetic susceptibility was obtained by considering a double chain numerical model with Monte Carlo derived empirical parameters. -- Graphical abstract: A manganese silicate prepared hydrothermally with formula NaMn{sub 2}Si{sub 3}O{sub 8}(OH) possessing the structure of the mineral Serandite contains doubled chains of edge-sharing MnO{sub 6} octahedra. The magnetic susceptibility was measured and shows an antiferromagnetic behavior. Highlights: • Characterization of a synthetic analog to the mineral Serandite: NaMn{sub 2}Si{sub 3}O{sub 8}(OH). • Fitting of the magnetic susceptibility considering a classical regular chain. • Weak metal–oxygen–metal super-exchange interactions; antiferromagnetic in nature. • Elevated degree of frustration along the chain, without sign of interchain ordering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Growth and characterization of nonpolar, heavily Mn-substituted ZnO films

Eight percent of Mn was successfully diluted into nonpolar ZnO films deposited by pulsed laser deposition on single crystal (100) SrTiO{sub 3} substrates. X-ray diffraction patterns and energy-dispersive X-ray spectroscopy confirmed high crystallinity of the films and excluded unintentional magnetic doping. A unique surface domain structure was observed by scanning electron microscope and atomic force microscope, which might play a vital role to strain release induced by lattice mismatch between nonpolar (11–20) ZnO film and (100) SrTiO{sub 3} substrate. In addition, the films showed strong ferromagnetism with a large coercivity H{sub C} ∼ 180 Oe at room temperature. The large magnetic moment is ascribed to carrier-mediated exchange interaction between the Mn ions, where the majority of the carriers are oxygen vacancies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electrical and magnetic properties of spherical SmFeO{sub 3} synthesized by aspartic acid assisted combustion method

Highlights: • SmFeO{sub 3} is synthesized by simple combustion method using aspartic acid as the fuel. • The particles are spherical in shape with the size ranges between 150 and 300 nm. • Cole–Cole plot infers the bulk conduction mechanism. • Room temperature VSM analysis reveal the weak ferromagnetic behaviour of SmFeO{sub 3}. • Mössbauer analysis elucidates the +3 oxidation state of Fe atoms. - Abstract: Samarium orthoferrite (SmFeO{sub 3}) is synthesized by a simple combustion method using aspartic acid as fuel. Phase purity and functional groups are analyzed via X-ray diffraction (XRD) and Fourier transform infrared (FT-IR) analysis, which confirms the single phase formation of orthorhombic SmFeO{sub 3}. Approximately spherical particles with size range 150–300 nm is revealed by scanning electron microscope (SEM). The conductivity of the material is identified by the single semicircle obtained in the solid state impedance spectra at elevated temperatures. The calculated electrical conductivity increases with increasing temperature, inferring the semiconducting nature of SmFeO{sub 3}. A magnetic study at room temperature revealed weak ferromagnetic behaviour in SmFeO{sub 3} due to Dzyaloshinsky–Moriya antisymmetric exchange interaction mechanism. Mössbauer analysis confirmed the +3 oxidation state of iron and magnetic ordering of the sample at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Magnetovolume effects and effect of pressure on the temperature dependence of sublattice magnetization in Ho(Co{sub 0.9}Ga{sub 0.1}){sub 2} compounds

The temperature dependence of the magnetic moments of cobalt and holmium ions in the temperature range of 5–300 K at pressures of P = 0 and 5 kbar was determined based on neutron diffraction data on Ho(Co{sub 0.9}Ga{sub 0.1}){sub 2} intermetallide. The temperature dependence of the lattice parameter was established, and the spontaneous bulk magnetostriction was determined. These quantities were calculated using the exchange striction model of a ferrimagnet, and good agreement with the experiment was obtained. The parameters of the exchange interaction between pairs of atoms of this compound and the magnetoelastic coupling constant were estimated. An original interpretation of the nature of the first-order magnetic phase transition in HoCo{sub 2} is proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Spin Polarization Dynamics of Nonequilibrium Conduction Electrons in Magnetic Junctions

The dynamics of the motion of the magnetic moment averaged over an ensemble of nonequilibrium spin-injected electrons in a ferromagnetic junction is considered with allowance for the exchange interaction, as well as the interaction with an external electromagnetic field and a thermostat. The solution of this problem is important for the experimental development of compact terahertz-band radiation sources. The rate of quantum transitions of electrons with opposite spins, which determine the spin relaxation under the interaction with a thermostat, is calculated within the density matrix formalism. It is shown that two spin-relaxation modes can be implemented that correspond to low- and high-Q precession of spin-nonequilibrium injected electrons. The effect of the characteristic features of spin-flip transitions under the relaxation of the magnetic moment on the emission and absorption of photons with-energy corresponding to the energy of effective exchange splitting of spin subbands is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Tunable Optical Behaviour and Room Temperature Ferromagnetism of Cobalt-Doped BaSnO{sub 3} Nanostructures

In this work, the effect of Co doping on the structural, vibrational, morphological, optical and magnetic behaviour of BaSnO{sub 3} nanostructures is reported. Pure and Co (1,3, and 5%)-doped barium stannate (BSO) nanostructures were prepared by conventional hydrothermal technique followed by calcination at 900 °C for 5 h. The single crystalline cubic phase was identified by XRD analysis and structural distortions associated with Co doping were evidenced by variation in microstarin and crystallite size. FTIR and Raman studies further confirm the structural quality of the prepared samples. FESEM analysis revealed the mixed morphology of prepared samples, and the chemical compositions of all the samples were analysed using EDAX studies. The absorption studies revealed the incorporation of dopant ions and their effect on the bandgap subsequently in samples. The presence of defects and paramagnetic centres in the samples were confirmed by PL and EPR analyses. Magnetization studies demonstrated that pure BSO exhibits characteristic diamagnetism at room temperature and the addition of Co into Ba–Sn–O lattice drives the F-centre exchange interactions which results in the ferromagnetic behaviour. Hence, the occurrence of diamagnetic to ferromagnetic transition at room temperature with addition of Co as a dopant was identified.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Nonradiative resonance energy transfer between semiconductor quantum dots

A microscopic analysis of the mechanisms of nonradiative energy transfer in a system of two semiconductor QDs caused by Coulomb interaction of donor and acceptor electrons is performed. The energy transfer rate is calculated for QDs based on III–V compounds using the Kane model. Conditions are analyzed under which energy transfer from a donor to an acceptor is possible. The mixing in of the p states of the valence band to the s states of the conduction band is found to give rise to additional contributions to the matrix element of energy transfer. It is shown that these additional contributions play a considerable role in the energy transfer process at distances between QDs close to contact distances or much greater. The influence of the exchange interaction on the energy transfer mechanism is analyzed, and it is shown that this interaction should be taken into account for a quantitative description of the energy transfer when QDs are separated by a distance close to the contact distance.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Magnetic properties of mixed spinel BaTiO{sub 3}-NiFe{sub 2}O{sub 4} composites

Solid solution of nickel ferrite (NiFe{sub 2}O{sub 4}) and barium titanate (BaTiO{sub 3}), (100-x)BaTiO{sub 3}–(x) NiFe{sub 2}O{sub 4} has been prepared by solid state reaction. Compressive strain is developed in NiFe{sub 2}O{sub 4} due to mutual structural interaction across the interface of NiFe{sub 2}O{sub 4} and BaTiO{sub 3} phases. Quantitative analysis of X-ray diffraction and X-ray photo electron spectrum suggest mixed spinel structure of NiFe{sub 2}O{sub 4}. A systematic study of composition dependence of composite indicates BaTiO{sub 3} causes a random distribution of Fe and Ni cations among octahedral and tetrahedral sites during non-equilibrium growth of NiFe{sub 2}O{sub 4}. The degree of inversion decreases monotonically from 0.97 to 0.75 with increase of BaTiO{sub 3} content. Temperature dependence of magnetization has been analyzed by four sublattice model to describe complex magnetic exchange interactions in mixed spinel phase. Curie temperature and saturation magnetization decrease with increase of BaTiO{sub 3} concentration. Enhancement of strain and larger occupancy of Ni{sup 2+} at tetrahedral site increase coercivity up to 200 Oe. Magnetostructual coupling induced by BaTiO{sub 3} improves coercivity in NiFe{sub 2}O{sub 4}. An increase in the demagnetization and homogeneity in magnetization process in NiFe{sub 2}O{sub 4} is observed due to the interaction with diamagnetic BaTiO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Magnetic behaviors in melt spun Fe{sub 52−x}Mn{sub 23+x}Ga{sub 25} (x = 0–3) ribbons

The effect of volume fraction of B2-type ferromagnetic (FM) phase on magnetic behavior of melt-spun Fe{sub 52−x}Mn{sub 23+x}Ga{sub 25} (x = 0, 1, 2, and 3) ribbons has been investigated. X-ray diffraction (XRD) results show that the volume fraction of the B2 phase is decreased, accompanied by the increased antiferromagnetic (AFM) fcc phase, with increasing x. The magnetization isotherms of these ribbons at different temperatures demonstrate that there exists a critical field H{sub CR} from AFM to FM state, and the H{sub CR} decreases and vanishes finally with increasing temperature. High exchange bias field (H{sub EB}) at 10 K through a cooling field at H{sub CR} from 300 K could be found and correlated to the volume fraction of B2-type FM phase. Both H{sub CR} and H{sub EB} are increased with decreasing the amount of B2-type FM phase. The H{sub CR} is increased from 20 kOe for x = 0 to 50 kOe for x = 3, and H{sub EB} is increased from 0.9 kOe for x = 0 to 2.5 kOe for x = 2. The latter phenomenon might be attributed to the change of exchange interactions at FM/AFM interfaces due to the change of proportion of FM and AFM phase at low temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effective Landé factor in a GaMnAs quantum dot; with the effects of sp-d exchange on a bound polaron

The effective g-factor of conduction (valence) band electron (hole) is obtained in the GaMnAs quantum dot. Magneto bound polaron in a GaMnAs/Ga{sub 0.6}Al{sub 0.4}As quantum dot is investigated with the inclusion of exchange interaction effects due to Mn alloy content and the geometrical confinement. The spin polaronic energy of the heavy hole exciton is studied with the spatial confinement using a mean field theory in the presence of magnetic field strength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Spin Excitations in a 4f−3d Heterodimer on MgO

We report on the magnetic properties of HoCo dimers as a model system for the smallest intermetallic compound of a lanthanide and a transition metal atom. The dimers are adsorbed on ultrathin MgO(100) films grown on Ag(100). New for 4f elements, we detect inelastic excitations with scanning tunneling spectroscopy and prove their magnetic origin by applying an external magnetic field. In combination with density functional theory and spin Hamiltonian analysis, we determine the magnetic level distribution, as well as sign and magnitude of the exchange interaction between the two atoms. In contrast to typical 4f-3d bulk compounds, we find ferromagnetic coupling in the dimer. © 2018 American Physical Society.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Extreme sensitivity of the magnetic ground state to halide composition in FeCl 3 – x Br x

Mixed halide chemistry has recently been utilized to tune the intrinsic magnetic properties of transition-metal halides—one of the largest families of magnetic van der Waals materials. Prior studies have shown that the strength of exchange interactions, hence the critical temperature, can be tuned smoothly with halide composition for a given ground state. Here we show that the ground state itself can be altered by a small change of halide composition in FeCl 3–$x$ Br $x$ . Specifically, we find a threefold jump in the Néel temperature and a sign change in the Weiss temperature at $x$=0.08 corresponding to only 3% bromine doping. Using neutron scattering, we reveal a change of the ground state from spiral order in FeCl 3 to $A$-type antiferromagnetic order in FeBr 3 . From first-principles calculations, we show that a delicate balance between nearest and next-nearest neighbor interactions is responsible for such a transition. In conclusion, these results demonstrate how varying the halide composition can tune the competing interactions and change the ground state of a spiral spin liquid system.

2-dimensional systems↗
DOE OSTI2021

Topology and ground state control in open-shell donor-acceptor conjugated polymers

Donor-acceptor (DA) conjugated polymers (CPs) with narrow bandgaps and open-shell (diradical) character represent an emerging class of materials whose rich behavior emanates from their collective electronic properties and diminished electron pairing. However, the structural and electronic heterogeneities that define these materials complicate bandgap control at low energies and connections linking topology, exchange interactions, and (opto)electronic functionality remain nascent. To address these challenges, we demonstrate structurally rigid and strongly π-conjugated copolymers comprised of a solubilizing thiadiazoloquinoxaline acceptor and cyclopenta[2,1-b:3,4-b']dithiophene or dithieno[3,2-b:2',3'-d]thiophene donors. Atom-specific substitution modulates local aromatic character within the donor resulting in dramatic differences in structural, physicochemical, electronic, and magnetic properties of the polymers. These long-range π-mediated interactions facilitate control between low-spin aromatic and high-spin quinoidal forms. This work provides a strategy to understand the evolution of the electronic structure within DA CPs, control the ground state spin multiplicity, tune spin-spin interactions, and articulate the emergence of their novel properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Simulation of the magnetocaloric effect in Tb nanofilms

Rare-earth (RE) metals have different magnetic structures resulting from the competition between the crystal-field and exchange interactions. When a magnetic field is applied it creates a third interaction and the magnetic structures are more complicated. In thin films, it is expected that even the magnetic arrangement itself can be strongly modified. Rare-earth helimagnets such as Terbium (Tb), Holmium (Ho) and Dysprosium (Dy) represent the best candidates to evidence such finite-size effects. This finite-size effect is caused by the reduced number of atoms in the direction perpendicular to the film plane that leads to a decrease of the total magnetic exchange energy. We report this contribution to the investigation of magnetocaloric effect (MCE) of thin Terbium films in the helimagnetic temperature range, from T{sub C} = 219 K to T{sub N} = 231 K, for external fields of the order of 1 kOe. We find that for strong fields, H = 50 kOe, the adiabatic temperature change ΔT near the Néel temperature is around 15 K for any thickness of Tb films. However large thickness effects are found for small values of the magnetic field. For field strength of the order of a few kOe, the thermocaloric efficiency increases significantly for ultrathin (nanomagnetic) films.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Interlayer coupling in Fe/Cr/Gd multilayer structures

The effect of the chromium layer thickness on the magnetic state of an [Fe/Cr/Gd/Cr]{sub n} multilayer structure is studied. A series of Fe/Cr/Gd structures with Cr spacer thicknesses of 4–30 Å is studied by SQUID magnetometry and ferromagnetic resonance in the temperature range 4.2–300 K. The obtained experimental results are described in terms of an effective field model, which takes into account a biquadratic contribution to the interlayer coupling energy and a nonuniform magnetization distribution inside the gadolinium layer (which was detected earlier). Depending on the magnetic field and temperature, the following types of magnetic ordering are identified at various chromium layer thicknesses: ferromagnetic, antiferromagnetic, and canted ordering. A comparison of the experimental and calculated curves allowed us to determine the dependence of the bilinear (J{sub 1}) and biquadratic (J{sub 2}) exchange constants on chromium layer thickness t{sub Cr}. Weak oscillations at a period of about 18 Å are detected in the J{sub 1}(t{sub Cr}) dependence in the range 8–30 Å. The interlayer coupling oscillations in the system under study are assumed to be related to the RKKY exchange interaction mechanism via the conduction electrons of Cr.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

First-principle investigations of K{sub 2}NiF{sub 4}-type double perovskite oxides La{sub 4}B′B″O{sub 8} (B′B″ = Fe, Co, Ni)

The K{sub 2}NiF{sub 4}-type structure La{sub 4}CoNiO{sub 8} (LCNO), La{sub 4}FeCoO{sub 8} (LFCO), and La{sub 4}FeNiO{sub 8} (LFNO) are studied by using the first-principle electronic structure calculations. Our results indicate that the ground state of LCNO is a ferrimagnetism (FiM) with a large energy gap about 1.9 eV, LFCO and LFNO are antiferromagnetism with energy gaps about 1.3 and 1.4 eV, respectively. Their orthorhombic distortions, out-of-plane elongation, and tilting of octahedron are discussed. It is indicated that LFCO and LFNO have stronger crystal distortion than LCNO. Our calculations indicate that the in-plane magnetic exchange interaction of LCNO is much stronger than LFCO and LFNO, thus LCNO should have much higher magnetic ordering temperature than LFCO and LFNO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗