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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Piezomagnetic switching and complex phase equilibria in uranium dioxide

Abstract Actinide materials exhibit strong spin–lattice coupling and electronic correlations, and are predicted to host new emerging ground states. One example is piezomagnetism and magneto-elastic memory effect in the antiferromagnetic Mott-Hubbard insulator uranium dioxide, though its microscopic nature is under debate. Here, we report X-ray diffraction studies of oriented uranium dioxide crystals under strong pulsed magnetic fields. In the antiferromagnetic state a [888] Bragg diffraction peak follows the bulk magnetostriction that expands under magnetic fields. Upon reversal of the field the expansion turns to contraction, before the [888] peak follows the switching effect and piezomagnetic ‘butterfly’ behaviour, characteristic of two structures connected by time reversal symmetry. An unexpected splitting of the [888] peak is observed, indicating the simultaneous presence of time-reversed domains of the 3-k structure and a complex magnetic-field-induced evolution of the microstructure. These findings open the door for a microscopic understanding of the piezomagnetism and magnetic coupling across strong magneto-elastic interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Thermodynamic evidence for polaron stabilization inside the antiferromagnetic order of Eu5In2Sb6

Abstract Materials exhibiting electronic inhomogeneities at the nanometer scale have enormous potential for applications. Magnetic polarons are one such type of inhomogeneity which link the electronic, magnetic and lattice degrees of freedom in correlated matter and often give rise to colossal magnetoresistance. Here, we investigate single crystals of Eu 5 In 2 Sb 6 by thermal expansion and magnetostriction along different crystallographic directions. These data provide compelling evidence for the formation of magnetic polarons in Eu 5 In 2 Sb 6 well above the magnetic ordering temperature. More specifically, our results are consistent with anisotropic polarons with varying extent along the different crystallographic directions. A crossover revealed within the magnetically ordered phase can be associated with a surprising stabilization of ferromagnetic polarons within the global antiferromagnetic order upon decreasing temperature. These findings make Eu 5 In 2 Sb 6 a rare example of such coexisting and competing magnetic orders and, importantly, shed new light on colossal magnetoresistive behavior beyond manganites.

Dawczak-Dębicki, Hubert↗
DOE OSTI2014

Theoretical study on the role of dynamics on the unusual magnetic properties in MnBi

Here we study the electronic structure and lattice dynamics in the ferromagnet MnBi using first-principles calculations and a tight-binding model. The band structure around the Fermi level is dominated by Bi-p states which are the primary contributors to the magnetic anisotropy energy in the low temperature structure. A tight-binding model consisting of Mn-d and Bi-p states is developed and the parameters are determined from first-principles calculations. Phonon dispersions and elastic moduli exhibit several interesting features. In conclusion, the results imply that the magnetic interaction with the crystal lattice in MnBi is considerably more complex than previously thought and in particular that there is a rich interplay between phonons and magnetism involving both magnetoelastic and magnetostrictive coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A predictive machine learning approach for microstructure optimization and materials design

This paper addresses an important materials engineering question: How can one identify the complete space (or as much of it as possible) of microstructures that are theoretically predicted to yield the desired combination of properties demanded by a selected application? We present a problem involving design of magnetoelastic Fe-Ga alloy microstructure for enhanced elastic, plastic and magnetostrictive properties. While theoretical models for computing properties given the microstructure are known for this alloy, inversion of these relationships to obtain microstructures that lead to desired properties is challenging, primarily due to the high dimensionality of microstructure space, multi-objective design requirement and non-uniqueness of solutions. These challenges render traditional search-based optimization methods incompetent in terms of both searching efficiency and result optimality. In this paper, a route to address these challenges using a machine learning methodology is proposed. A systematic framework consisting of random data generation, feature selection and classification algorithms is developed. In conclusion, experiments with five design problems that involve identification of microstructures that satisfy both linear and nonlinear property constraints show that our framework outperforms traditional optimization methods with the average running time reduced by as much as 80% and with optimality that would not be achieved otherwise.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Magnetoelastoelectric coupling in core-shell nanoparticles enabling directional and mode-selective magnetic control of THz beam propagation

Magnetoelastoelectric coupling in an engineered biphasic multiferroic nanocomposite enables a novel magnetic field direction-defined propagation control of terahertz (THz) waves. These core–shell nanoparticles are comprised of a ferromagnetic cobalt ferrite core and a ferroelectric barium titanate shell. Furthermore, an assembly of these nanoparticles, when operated in external magnetic fields, exhibits a controllable amplitude modulation when the magnetic field is applied antiparallel to the THz wave propagation direction; yet the same assembly displays an additional phase modulation when the magnetic field is applied along the propagation direction. And while field-induced magnetostriction of the core leads to amplitude modulation, phase modulation is a result of stress-mediated piezoelectricity of the outer ferroelectric shell.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Controllable thermal expansion and magnetic structure in Er 2 (Fe,Co) 14 B intermetallic compounds

The control of thermal expansion is attractive but remains challenging for the studies of negative thermal expansion materials. Here, we report a continuously controllable thermal expansion from negative to positive by means of adjusting the magnetic moment of Fe in Er 2 (Fe,Co) 14 B intermetallic compounds. Interestingly, a zero thermal expansion (ZTE) has been achieved in a wide temperature range (ΔT = 355 K), which is larger than most existing ZTE alloys. The spontaneous magnetostriction (ω S ) reveals a negative contribution arising from the magneto-volume effect to the controllable thermal expansion. The present study could be suitable for the design of controllable thermal expansion of other alloys related to the magneto-volume effect.

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

Driving magnetic domains at the nanoscale by interfacial strain-induced proximity

Here, we investigate the local nanoscale changes of the magnetic anisotropy of a Ni film subject to an inverse magnetostrictive effect by proximity to a V 2 O 3 layer. Using temperature-dependent photoemission electron microscopy (PEEM) combined with X-ray magnetic circular dichroism (XMCD), direct images of the Ni spin alignment across the first-order structural phase transition (SPT) of V 2 O 3 were obtained. We find an abrupt temperature-driven reorientation of the Ni magnetic domains across the SPT, which is associated with a large increase of the coercive field. Moreover, angular dependent ferromagnetic resonance (FMR) shows a remarkable change in the magnetic anisotropy of the Ni film across the SPT of V 2 O 3 . Micromagnetic simulations based on these results are in quantitative agreement with the PEEM data. Direct measurements of the lateral correlation length of the Ni domains from XMCD images show an increase of almost one order of magnitude at the SPT compared to room temperature, as well as a broad spatial distribution of the local transition temperatures, thus corroborating the phase coexistence of Ni anisotropies caused by the V 2 O 3 SPT. We show that the rearrangement of the Ni domains is due to strain induced by the oxide layers’ structural domains across the SPT. Our results illustrate the use of alternative hybrid systems to manipulate magnetic domains at the nanoscale, which allows for engineering of coercive fields for novel data storage architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Modification of structure and magnetic anisotropy of epitaxial CoFe₂O₄ films by hydrogen reduction

Heteroepitaxial CoFe₂O₄ (CFO) thin films with different thicknesses were deposited on MgO (001) substrates. The as-deposited CFO films show a clear switching of magnetic anisotropy with increasing film thickness. The thinner films (<100 nm) show a perpendicular magnetic anisotropy due to the out-of-plane compressive strain. The thicker films exhibit an in-plane easy axis owing to the dominating shape anisotropy effect. The magnetostriction coefficient of CFO films is estimated to be λ[001] =-188 × 10⁻⁶. Metallic CoFe₂ films were obtained by annealing the as-deposited CFO films in forming gas (Ar 93% + H₂ 7%) at 450 °C. XRD shows that CoFe₂ films are textured out-of-plane and aligned in-plane, owing to lattice matching between CoFe₂ and MgO substrate. TEM results indicate that as-deposited films are continuous while the annealed films exhibit a nanopore mushroom structure. The magnetic anisotropy of CoFe₂ films is dominated by the shape effect. The results demonstrate that hydrogen reduction can be effectively used to modify microstructures and physical properties of complex metal oxide materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Consequences of aging on ferromagnetic amorphous Fe 75 Si 10 B 15 microwires for advanced inductive applications

Amorphous ferromagnetic microwires fabricated by water-quenching have been assessed to show favorable properties for next-generation high-frequency electric machines as compared to those of conventional amorphous magnetic alloys in sheet or ribbon form. Here, water-quenched amorphous Fe 75 Si 10 B 15 microwires were subjected to a range of aging times of up to 5 years in the air at room temperature. While both newer and aged microwires are X-ray amorphous, the aged microwires do exhibit a slight degree of crystallinity, a lower initial susceptibility and a reduced enthalpy change for full devitrification. These small differences (typically < 5%) are attributed to the formation of minor surface oxidation products such as iron oxides and SiO 2 which modify the surface strain state. The resultant stress couples to magnetostriction to promote the formation of radial magnetic domains that impair the magnetic reversal process. These results demonstrate that while amorphous ferromagnetic microwires are essentially stable against aging in the air, consideration of their surface state will be significant for advanced applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structural coupling and magnetic tuning in Mn 2– x Co x P magnetocalorics for thermomagnetic power generation

Promising materials for magnetic refrigeration and thermomagnetic power generation often display strong coupling between magnetism and structure. It has been previously proposed that MnCoP exhibits this strong coupling, contributing to its substantial magnetocaloric effect near T C = 578K. Here, we show from temperature-dependent synchrotron x-ray diffraction that MnCoP displays a discontinuity in the thermal expansion at T C , with spontaneous magnetostriction that is positive in the a direction and negative in the b direction, highlighting the anisotropic nature of the magnetostructural coupling. Varying the Mn:Co ratio of Mn 2– x Co x P within the range of 0.6 ≤ x ≤ 1.4 allows the magnetic properties to be tuned. T C decreases as the composition deviates from stoichiometric MnCoP, as does the saturation magnetization. The magnitude of the magnetocaloric effect, |Δ S M |, decreases as well, due to broadening of the magnetic transition. The large reversible change in magnetization Δ M accessible over a small temperature range under moderate magnetic fields makes these materials promising for thermomagnetic power generation from waste heat.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Strain transfer in porous multiferroic composites of CoFe 2 O 4 and PbZr x Ti 1- x O 3

This manuscript examines the mechanism of strain-coupling in a multiferroic composite of mesoporous cobalt ferrite (CFO), conformally filled with lead zirconate titanate (PZT). We find that when the composites are electrically poled, remanent strain from the piezoelectric PZT layer can be transferred to the magnetostrictive CFO layer. X-ray diffraction shows that this strain transfer is greatest in the most porous samples, in agreement with magnetometry measurements, which show the greatest change in sample saturation magnetization in the most porous samples. In conclusion, strain analysis shows that porosity both accommodates greater lattice strain and mitigates the effects of substrate clamping in thin film strain-coupled composites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Investigations of room temperature multiferroic and magneto-electric properties of (1-Φ) PZTFT-Φ CZFMO particulate composites

Multiferroic composites consisting of a single-phase multiferroic [0.6(PbZr 0.53 Ti 0.47 O 3 )-0.4(PbFe 0.5 Ta 0.5 )O 3 ] as a matrix and a magnetostrictive phase (Co 0.6 Zn 0.4 Fe 1.7 Mn 0.3 O 4 ) dispersed in the matrix are fabricated via hybrid synthesis technique. The structure and surface morphology studies using x-ray diffraction and field emission scanning electron microscopy techniques indicate the formation of 3-0 type particulate composites. Coexistence of soft-magnetic behavior and ferroelectric characteristics are confirmed for composites from magnetization vs magnetic field (M–H) and polarization vs electric field (P–E) measurements, respectively. Magneto-dielectric (MD) measurement shows significant changes in the dielectric properties with the application of a magnetic field, indicating the existence of strong MD behavior. The biquadratic nature of magneto-electric (ME) coupling is described by the Landau free energy equation arising from the strain transfer at the interfaces between the constituent phases. The direct magneto-electric voltage coefficient measurement also confirms very strong coupling between ferroelectricity and magnetism and supports the strain-mediated magneto-electric effect in composites. The Φ = 0.3 composite exhibits the maximum ME coefficient of 20.72 mV/cm Oe with M S = 24.62 emu/g, H C = 59.66 Oe, and piezoelectric coefficient value d 33 = 19 pC/N. In conclusion, the strong magneto-electric effect along with low dielectric loss at room temperature in these composites suggests their suitability for multifunctional magneto-electric device applications such as magnetic sensors, etc.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mutual spin-phonon driving effects and phonon eigenvector renormalization in nickel (II) oxide

The physics of mutual interaction of phonon quasiparticles with electronic spin degrees of freedom, leading to unusual transport phenomena of spin and heat, has been a subject of continuing interests for decades. Despite its pivotal role in transport processes, the effect of spin-phonon coupling on the phonon system, especially acoustic phonon properties, has so far been elusive. By means of inelastic neutron scattering and first-principles calculations, anomalous scattering spectral intensity from acoustic phonons was identified in the exemplary collinear antiferromagnetic nickel (II) oxide, unveiling strong spin-lattice correlations that renormalize the polarization of acoustic phonon. In particular, a clear magnetic scattering signature of the measured neutron scattering intensity from acoustic phonons is demonstrated by its momentum transfer and temperature dependences. The anomalous scattering intensity is successfully modeled with a modified magneto-vibrational scattering cross-section, suggesting the presence of spin precession driven by phonon. The renormalization of phonon eigenvector is indicated by the observed “geometry-forbidden” neutron scattering intensity from transverse acoustic phonon. Importantly, the eigenvector renormalization cannot be explained by magnetostriction but instead, it could result from the coupling between phonon and local magnetization of ions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Suitability of cation substituted cobalt ferrite materials for magnetoelastic sensor applications

The results of a study on the suitability of materials derived from cobalt ferrite for sensor and actuator applications are presented. The mechanism responsible for the superior sensor properties of Ge-substituted cobalt ferrite compared with Ti and other cation substituted cobalt ferrite materials is believed to be due to the tetrahedral site preference of Ge4+ and its co-substitution with Co2+. Results also showed that the higher strain derivative of Ge-substituted cobalt ferrite compared with Ti-substitution is due to a higher magnetostrictive coupling in response to applied field in the material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetoelastic coupling and spin contributions to entropy and thermal transport in biferroic yttrium orthochromite

Direct engineering of material properties through exploitation of spin, phonon, and charge-coupled degrees of freedom is an active area of development in materials science. However, the relative contribution of the competing orders to controlling the desired behavior is challenging to decipher. In particular, the independent role of phonons, magnons, and electrons, quasiparticle coupling, and relative contributions to the phase transition free energy largely remain unexplored, especially for magnetic phase transitions. Here, we study the lattice and magnetic dynamics of biferroic yttrium orthochromite using Raman, infrared, and inelastic neutron spectroscopy techniques, supporting our experimental results with first-principles lattice dynamics and spin-wave simulations across the antiferromagnetic transition at T N ~ 138 K. Spectroscopy data and simulations together with the heat capacity (C p ) measurements, allow us to quantify individual entropic contributions from phonons (0.01 ± 0.01k B atom -1 ), dilational (0.03 ± 0.01k B atom -1 ), and magnons (0.11 ± 0.01k B atom -1 ) across TN. High-resolution phonon measurements conducted in a magnetic field show that anomalous T-dependence of phonon energies across TN originates from magnetoelastic coupling. Additionally, phonon scattering is primarily governed by the phonon–phonon coupling, with little contribution from magnon–phonon coupling, short-range spin correlations, or magnetostriction effects; a conclusion further supported by our thermal conductivity measurements conducted up to 14 T, and phenomenological modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Selected magnetoelectrical phonon stiffening in Cr 2 ⁢O 3

A thorough understanding of lattice dynamics, particularly how they couple with spin through spin-phonon interactions, is crucial for pioneering new spin-caloritronic applications. Here, despite extensive studies on Cr 2 ⁢O 3 , the origin of nonlinear thermal expansions and the unusual stiffening of optical phonon modes is still elusive. Through inelastic neutron scattering and atomistic calculations, we found that these behaviors can be attributed to the renormalization of electron states owing to the magnetic transition, and we ruled out the effects from thermal expansion, phonon anharmonicity, magnetostriction, or electron-phonon interactions. Importantly, our quantitative modeling suggests that the common belief that dynamic spin-phonon interactions are the origin of anomalous phonon energy stiffening in magnetic compounds does not apply in Cr 2 ⁢O 3 .

DFT+U↗
DOE OSTI2026

Electronic transport, thermal transport, thermal expansion, and magnetization in the strongly correlated metal LaNi⁢O 3

Perovskite structured LaNiO 3 is a strongly correlated metal with intriguing thermal and magnetic properties. The volume dependence of calculated and measured physical properties can add additional critical information to develop a more in-depth understanding of this strongly correlated phenomenon. Taking advantage of recent single crystal LaNiO 3 growth using the floating-zone method, we have measured the thermal expansion, the magnetostriction, and the pressure dependence of the magnetic susceptibility, which then allows derivation of the Grüneisen parameters γ e = $\frac{dlnN(E_F)}{d lnV}$, γ χ = $\frac{dlnχ}{d lnV}$, as well as of electric and thermal transport properties. We simulate the volume dependence of structural and magnetic properties using Density Functional Theory calculations at the Generalized Gradient Approximation level. A large discrepancy between experimental values and calculated ones suggests that strong correlations are likely to be dynamic in nature. This study also provides a side-by-side comparison of measurements in single crystal and polycrystalline samples of LaNiO 3 to elucidate intrinsic materials properties. A broad hump at high temperatures in the temperature dependence of magnetization found in the single crystal sample of LaNiO 3 has been rationalized by a model that includes the influence of electron correlations on the Landau diamagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magnetoelastic Effects in Doubly Clamped Electroplated $\mathrm{Co_{77}Fe_{23}}$ Microbeam Resonators

Magnetostrictive $\mathrm{Co_{77}Fe_{23}}$ films are fully suspended to produce free-standing, clamped-clamped, microbeam resonators. A negative or positive shift in the resonant frequency is observed for magnetic fields applied parallel or perpendicular to the length of the beam, respectively, confirming the magnetoelastic nature of the shift. Notably, the resonance shifts linearly with higher-bias fields oriented perpendicular to the beam’s length. Domain imaging elucidates the distinction in the reversal processes along the easy and hard axes. Finally, these results suggest that through modification of the magnetic anisotropy, the frequency shift and angular dependence can be tuned, producing highly magnetic-field-sensitive resonators.

47 OTHER INSTRUMENTATION↗