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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Donor–Acceptor Conjugated Copolymers Containing Transition-Metal Complex: Intrachain Magnetic Exchange Interactions and Magneto-Optical Activity

A donor-acceptor conjugated copolymer containing thienothiophene (TT) (Donor) units and Co(II) complexes (Acceptor) has been synthesized and characterized. The studies of magnetic properties of the polymers by SQUID and EPR measurements showed antiferromagnetic exchange interaction between neighboring spin centers along with the polymer backbone through intrachain in-teractions. It is the first time that D-A conjugated polymer backbone serving as bridging ligands for magnetic couplings, making this type of polymers promising as magnetic materials. Moreover, the magneto-optical activity (MOA) of polymer LCP1 was char-acterized using magnetic circular dichroism (MCD) spectroscopy. It was found that the material exhibits a large magneto-optic rotation with a peak Verdet constant of 2980 deg*T -1 *m -1 at 590 nm.

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

Electronic structure and 3d-4f exchange interactions in zircon-type RCrO{sub 4} oxides (R=Dy, Ho and Gd)

Using first principles density functional theory (DFT) calculations within GGA and GGA+U approximations we studied both ferromagnetic (FM) and antiferromagnetic (AFM) phases of zircon type RCrO{sub 4} (R= Dy, Ho, Gd) oxides. We estimated and compared the 3d-4f exchange interaction strengths J between the nearest neighbor R{sup 3+} and Cr{sup 5+} ions for R=Dy, Gd. Our results predict that DyCrO{sub 4}, GdCrO{sub 4} and HoCrO{sub 4} have ferromagnetic ground state which is consistent with experimental observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Absence of exchange interaction between localized magnetic moments and conduction-electrons in diluted Er{sup 3+} gold-nanoparticles

The Electron Spin Resonance (ESR) of diluted Er{sup 3+} magnetic ions in Au nanoparticles (NPs) is reported. The NPs were synthesized by reducing chloro triphenyl-phosphine gold(I) and erbium(III) trifluoroacetate. The Er{sup 3+} g-value along with the observed hyperfine splitting indicate that the Er{sup 3+} impurities are in a local cubic symmetry. Furthermore, the Er{sup 3+} ESR spectra show that the exchange interaction between the 4f and the conduction electrons (ce) is absent or negligible in Au{sub 1–x}Er{sub x} NPs, in contrast to the ESR results in bulk Au{sub 1–x}Er{sub x}. Therefore, the nature of this interaction needs to be reexamined at the nano scale range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effects of Indirect Exchange Interactions in a Mixed-Spin Bilayer Film with Nonmagnetic Layers

The magnetic properties (phase diagrams and magnetizations) of a mixed-spin Ising ferrimagnetic bilayer film on the graphene honeycomb lattice where two (A and B) layers separated by a number of nonmagnetic layers are investigated by the use of the effective field theory with correlations. The systems are consisted of two (spin-1/2 and spin-1) magnetic atoms where spin-1 atoms have a single-ion anisotropy. The effects of an indirect exchange interaction between the A and B layers are examined. Some characteristic behaviors have been found in the system, when the single-ion anisotropy takes a large negative value. Some characteristic phenomena of ferrimagnetism, have been found in the thermal variation of magnetization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Exchange interaction mediated ferroelectricity in multiferroic MnTiO{sub 3} with anisotropic orbital hybridization and hole delocalization

We present the orbital structure of MnTiO{sub 3} with polarization dependent x-ray absorption and resonant x-ray emission spectra accompanied with electronic structure calculations. The results clearly indicate a strongly anisotropic O 2p-Mn 3d orbital hybridization whereas the Mn 3d hole state shows a highly delocalized characteristic ascribed to the 3d-4p mixing. The extended Mn 4p orbital could enhance the exchange interaction between Mn (3d)-O (2p)-Mn (3d) leading to an asymmetric charge distribution in Mn-O bonds. The delocalized characteristic of Mn 3d holes is indispensable to the mechanism of spin-dependent-metal-ligand hybridization to explain magnetically induced ferroelectricity.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Exchange interactions of paramagnetic spins on α-Al 2 O 3

Superconducting qubits (SQs) represent a promising route to achieving a scalable quantum computer. However, the coupling between SQs and (as yet largely unidentified) parasitic noise sources has so far limited the functionality of current SQs by reducing the coherence time of the quantum states below a practical threshold for measurement and manipulation. These noise sources also more generally limit the performance of a variety of devices based on superconducting circuits, including high energy-resolution cryogenic radiation detectors, sensitive magnetic detectors (superconducting quantum interference devices, or SQUIDs), nanomechanical motion sensors and quantum-limited parametric amplifiers. In this paper, we study the origins of spin interactions on a substrate using OH on sapphire as a model system. We show how the substrate can mediate spin-spin interactions generally favoring FM interactions, but that strain can modify the interaction. Surface and sub-surface defects between the spin defects may also enhance the exchange interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Effect of Sr doping on the magnetic exchange interactions in manganites of type L a 1 - x S r x M n y A 1 - y O 3 ( A = Ga , Ti ; 0.1 ≤ y ≤ 1 )

Strontium doping transforms manganites of type La 1 - x Sr x Mn O 3 from an insulating antiferromagnet ( x = 0 ) to a metallic ferromagnet ( x > 0.16 ) due to the induced charge carriers (holes). We employed neutron scattering experiments in order to investigate the effect of Sr doping on a tailor-made compound of composition La 0.7 S r 0.3 M n 0.1 Ti 0.3 G a 0.6 O 3 . By the simultaneous doping with S r 2 + and Ti 4 + ions, the compound remains in the insulating state so that the magnetic interactions for large Sr doping can be studied in the absence of charge carriers. At T C = 215 K , there is a first-order reconstructive phase transition from the trigonal R - 3 c structure to the orthorhombic Pnma structure via an intermediate virtual configuration described by the common monoclinic subgroup P2 1 / c . The magnetic excitations associated with Mn 3 + dimers give evidence for two different nearest-neighbor ferromagnetic exchange interactions, in contrast to the undoped compound LaM n y A 1 - y O 3 where both ferromagnetic and antiferromagnetic interactions are present. Furthemore, the doping-induced changes of the exchange coupling originates from different Mn-O-Mn bond angles determined by neutron diffraction. The large fourth-nearest-neighbor interaction found for metallic manganites is absent in the insulating state. Here, we argue that the Ruderman-Kittel-Kasuya-Yosida interaction reasonably accounts for all the exchange couplings derived from the spin-wave dispersion in metallic manganites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Monte Carlo study of double exchange interaction in manganese oxide

In this paper we study the magnetoresistance properties attributed by double exchange (DE) interaction in manganese oxide by Monte Carlo simulation. We construct a model based on mixed-valence Mn{sup 3+} and Mn{sup 4+} on the general system of Re{sub 2/3}Ae{sub 1/3}MnO{sub 3} in two dimensional system. The conduction mechanism is based on probability of e{sub g} electrons hopping from Mn{sup 3+} to Mn{sup 4+}. The resistivity dependence on temperature and the external magnetic field are presented and the validity with related experimental results are discussed. We use the resistivity power law to fit our data on metallic region and basic activated behavior on insulator region. On metallic region, we found our result agree well with the quantum theory of DE interaction. From general arguments, we found our simulation agree qualitatively with experimental results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Spin waves and magnetic exchange interactions in the spin-ladder compound RbFe 2 Se 3

In this paper, we report an inelastic neutron scattering study of the spin waves of the one-dimensional antiferromagnetic spin ladder compound RbFe 2 Se 3 . The results reveal that the products, SJ's, of the spin S and the magnetic exchange interaction J along the antiferromagnetic (leg) direction and the ferromagnetic (rung) direction are comparable with those for the stripe ordered phase of the parent compounds of the iron-based superconductors. Also, the universality of the SJ's implies nearly universal spin wave dynamics and the irrelevance of the fermiology for the existence of the stripe antiferromagnetic order among various Fe-based materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic exchange interactions in the van der Waals layered antiferromagnet MnPSe 3

Two-dimensional van der Waals compounds with magnetic ions on a honeycomb lattice are hosts to a variety of exotic behavior. The magnetic interactions in one such compound, MnPSe 3 , are investigated with elastic and inelastic neutron scattering. Magnetic excitations are observed in the magnetically ordered regime and persist to temperatures well above the ordering temperature, T N =74K, consistent with low dimensional magnetic interactions. The inelastic neutron scattering results allow a model spin Hamiltonian to be presented that includes dominant intralayer interactions of J 1ab =0.45 meV, J 2ab =0.03 meV, J 3ab =0.19 meV, consistent with theoretical predictions. Furthermore, despite the quasi-2D behavior, appreciable interlayer interactions of J c =0.031(5) meV are required to model the data. No evidence for anisotropy in the form of a spin gap is observed in the data collected. The measurements on MnPSe 3 are contrasted with those on MnPS 3 and reveal a large increase in the interlayer exchange interaction in MnPSe 3 that may stabilize the similar ordering temperatures in the bulk compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetic structure and exchange interactions in the layered semiconductor CrPS 4

Compounds with two-dimensional (2D) layers of magnetic ions weakly connected by van der Waals bonding offer routes to enhance quantum behavior, stimulating both fundamental and applied interest. CrPS 4 is one such magnetic van der Waals material, however, it has undergone only limited investigation. Here we present a comprehensive series of neutron scattering measurements to determine the magnetic structure and exchange interactions. The observed magnetic excitations allow a high degree of constraint on the model parameters not normally associated with measurements on a powder sample. The results demonstrate the 2D nature of the magnetic interactions, while also revealing the importance of interactions along 1D chains within the layers. The subtle role of competing interactions is observed, which manifest in a nontrivial magnetic transition and a tunable magnetic structure in a small applied magnetic field through a spin-flop transition. Our results on the bulk compound provide insights that can be applied to an understanding of the behavior of reduced layer CrPS 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Intervalley electron-hole exchange interaction and impurity-assisted recombination of indirect excitons in WS 2 and WSe 2 monolayers

The variety of excitonic states in tungsten-based dichalcogenide monolayers stems from unique interplay between the spin and valley degrees of freedom. One of the exciton species is the indirect exciton (momentum or valley dark), which is responsible for a series of resonances when the monolayer is charge neutral. We investigate the short-range electron-hole exchange interaction of the indirect exciton, as well as its recombination mechanism mediated by impurities. The analysis provides thorough understanding of the energy and polarization of the zero-phonon indirect exciton resonance in the emission spectrum.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Uniaxial Spin Texture in a Superconducting Electron Gas Revealed by Exchange Interactions

Two-dimensional (2D) superconductors with spin-textured Fermi surfaces can be a platform for realizing unconventional pairing states and are of substantial interest in the context of quantum information science and superconducting spintronics/orbitronics. We observed an unusual in-plane uniaxial anisotropy in the superconducting 2D electron gas (2DEG) formed at EuOx/KTaO3 (110) interfaces. This anisotropy is not evident in AlOx/KTaO3 (110) where the overlayer is nonmagnetic. Our results are consistent with a highly anisotropic “half-Rashba” spin-textured Fermi surface in 2DEGs formed at the KTaO3 (110) interface that is hidden from external magnetic fields due to a near cancellation between orbital and spin moments but revealed by exchange interactions of the electrons in the 2DEG with Eu moments near the EuOx/KTaO3 (110) interface. The interactions between the uniaxial spin texture and the magnetic overlayer offer previously unexplored ways to explore the interplay between magnetism and 2D superconductivity.

Yang, Junyi↗
DOE OSTI2017

Missing magnetism in Sr 4 Ru 3 O 10 : Indication for Antisymmetric Exchange Interaction

Metamagnetism occuring inside a ferromagnetic phase is peculiar. Therefore, Sr 4 Ru 3 O 10 , a T C = 105 K ferromagnet, has attracted much attention in recent years, because it develops a pronounced metamagnetic anomaly below T C for magnetic fields applied in the crystallographic ab-plane. The metamagnetic transition moves to higher fields for lower temperatures and splits into a double anomaly at critical fields H c1 = 2.3 T and H c2 = 2.8 T, respectively. Here, we report a detailed study of the different components of the magnetization vector as a function of temperature, applied magnetic field, and varying angle in Sr 4 Ru 3 O 10 . We discover for the first time a reduction of the magnetic moment in the plane of rotation at the metamagnetic transition. The anomaly shifts to higher fields by rotating the field from H ⊥ c to H || c. We compare our experimental findings with numerical simulations based on spin reorientation models taking into account magnetocrystalline anisotropy, Zeeman effect and antisymmetric exchange interactions. While Magnetocrystalline anisotropy combined with a Zeeman term are sufficient to explain a metamagnetic transition in Sr 4 Ru 3 O 10 , a Dzyaloshinskii-Moriya term is crucial to account for the reduction of the magnetic moment as observed in the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Action painting under spectroscopic light: Excited-state exchange interactions behind the vibrant blue in Jackson Pollock’s Number 1A, 1948

Number 1A, 1948 by Jackson Pollock is a quintessential example of his action painting technique where ropes of color, drips of black, and pools of white coalesce into the layered dynamism that defines his style. While past work has identified the red and yellow pigments that form part of his core palette, the vibrant blue in the painting has remained unassigned. In this study resonance Raman spectroscopy is used to assign the blue in the painting as manganese blue. This assignment offers critical context for the conservation of his works. Importantly, assignment of this pigment enables spectroscopic investigation of the electronic structure origin of the pure hue of manganese blue and the chemical phenomena that produce its color. To probe these phenomena, resonance Raman data are coupled to magnetic circular dichroism spectroscopy and density functional theory calculations to assign and analyze the two electronic transitions that create the blue color. This study reveals these bands are split by excited-state exchange interactions; the gap between them contains the reflected light that gives manganese blue its appearance. This sheds light on distinct advantages of molecular inorganic pigments: their ability to leverage ligand field effects in charge transfer states to create multiple intense visible absorption features and the ability to fine-tune pigment color through host lattice electrostatics.

DFT↗
DOE OSTI2019

Effect of Exchange Interaction Constants on the Magnetization Reversal in a Hard/Soft Magnetic Bilayer Model

A model is developed to study a hard/soft magnetic bilayer in an external magnetic field by the Monte Carlo method. The influence of the constants of the exchange intralayer and interlayer interactions of the hard magnetic and soft magnetic layers on the magnetization reversal in the magnetic bilayer is investigated. The formation of a spin spring is shown to be mainly determined by the exchange interaction in the soft magnetic layer. Phase diagrams are plotted for the magnetic bilayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Broken symmetry approach to density functional calculation of zero field splittings including anisotropic exchange interactions

The broken symmetry approach to the calculation of zero field splittings (or magnetic anisotropies) of multinuclear transition metal complexes is further developed. A procedure is suggested how to extract spin Hamiltonian parameters for anisotropic exchange from a set of broken symmetry density functional calculations. For isotropic exchange coupling constants J{sub ij}, the established procedure is retrieved, and anisotropic (or pseudodipolar) exchange coupling tensors D{sub ij} are obtained analogously. This procedure only yields the sum of the individual single-ion zero field splitting tensors D{sub i}. Therefore, a procedure based on localized orbitals has been developed to extract the individual single-ion contributions. With spin Hamiltonian parameters at hand, the zero field splittings of the individual spin multiplets are calculated by an exact diagonalization of the isotropic part, followed by a spin projection done numerically. The method is applied to the binuclear cation [LCr(OH){sub 3}CrL]{sup 3+} (L = 1,4,7-trimethyl-1,4,7-triazanonane) for which experimental zero field splittings for all low-energy spin states are known, and to the single-molecule magnet [Fe{sub 4}(CH{sub 3}C(CH{sub 2}O){sub 3}){sub 2}(dpm){sub 6}] (Hdpm = 2,2,6,6-tetramethylheptane-3,5-dione). In both these 3d compounds, the single-ion tensors mainly come from the spin-orbit interaction. Anisotropic exchange is dominated by the spin-dipolar interaction only for the chromium compound. Despite the rather small isotropic exchange couplings in the iron compound, spin-orbit and spin-dipolar contributions to anisotropic exchange are of similar size here.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Long-range exchange interaction between magnetic impurities in graphene

The effective spin exchange RKKY coupling between impurities (adatoms) on graphene mediated by conduction electrons is studied as a function of the strength of the potential part of the on-site energy U of the electron-adatom interaction. With increasing U, the exchange coupling becomes long range, determined largely by the impurity levels with energies close to the Dirac points. Finally, when adatoms reside on opposite sublattices, their exchange coupling, normally antiferromagnetic, becomes ferromagnetic and resonantly enhanced at a specific distance where an impurity level crosses the Dirac point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗