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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Phonon Anharmonicity and Spin–Phonon Coupling in CrI 3

We report on the far-infrared, temperature-dependent optical properties of a CrI 3 transition metal halide single crystal, a van der Waals ferromagnet (FM) with a Curie temperature of 61 K. In addition to the expected phonon modes determined by the crystalline symmetry, the optical reflectance and transmittance spectra of CrI 3 single crystals show many other excitations as a function of temperature as a consequence of the combination of a strong lattice anharmonicity and spin–phonon coupling. This complex vibrational spectrum highlights the presence of entangled interactions among the different degrees of freedom in CrI 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Metal-insulator transition temperature in EuO 1−x films as a function of exposure time in air

Oxygen-deficient Europium monoxide EuO 1-x shows a metal-to-insulator transition near the Curie temperature (T C ). A systematic transport study of EuO 1-x thin films as a function of exposure time in air reveals a gradually decreased T C from 140 K to 70 K as the concentration of the oxygen vacancies decreases, which is accompanied by a drastic increase in the resistance. Here we also find an unusual enhancement of magnetic anisotropy in the transport measurements, which results from the strong spin-orbit coupling at the interface between the film and substrate and possible presence of spin-textures like skyrmions in EuO 1-x .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electrons matter in ferromagnetic criticality

When elemental iron is cooled from high temperatures, magnetic moments carried by its d-electrons begin a continuous transition to a state of parallel aligned moments below its Curie temperature TC of about 1040 K. As established in the mid-1900s, the statistical physics of this second order phase transition is universal, independent of the ordering temperature, material structure and chemical composition as well as the character of moment-bearing electrons. Finally, the thermodynamics of the phase transition is determined solely by symmetries of the transition’s order parameter – magnetization in the case of a ferromagnet.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Spin–Phonon Coupling and Magnetic Transition in an Organic Molecule Intercalated Cr 2 Ge 2 Te 6

The manipulation of spin–phonon coupling in both formations and explorations of magnetism in two-dimensional van der Waals ferromagnetic semiconductors facilitates unprecedented prospects for spintronic devices. The interlayer engineering with spin–phonon coupling promises controllable magnetism via organic cation intercalation. Here, in this study, spectroscopic evidence reveals the intercalation effect on the intrinsic magnetic and electronic transitions in quasi-two-dimensional Cr 2 Ge 2 Te 6 using tetrabutyl ammonium (TBA + ) as the intercalant. The temperature evolution of Raman modes, E g 3 and A g 1 , along with the magnetization measurements, unambiguously captures the enhancement of the ferromagnetic Curie temperature in the intercalated heterostructure. Moreover, the E g 4 mode highlights the increased effect of spin–phonon interaction in magnetic-order-induced lattice distortion. Combined with the first-principle calculations, we observed a substantial number of electrons transferred from TBA + to Cr through the interface. The interplay between spin–phonon coupling and magnetic ordering in van der Waals magnets appeals for further understanding of the manipulation of magnetism in layered heterostructures.

2D magnet↗
DOE OSTI2022

Electronic band structure and magnetism of CoFeV 0.5 Mn 0.5 Si

Half-metallic Heusler alloys have attracted significant attention due to their potential application in spin-transport-based devices. We have synthesized one such alloy, CoFeV 0.5 Mn 0.5 Si, using arc melting and high-vacuum annealing at 600 °C for 24 hours. First principles calculation indicates that CoFeV 0.5 Mn 0.5 Si shows a nearly half-metallic band structure with a degree of spin polarization of about 93%. In addition, this value can be enhanced by the application of tensile strain. The room temperature x-ray diffraction patterns are indexed with the cubic crystal structure without secondary phases. The annealed sample shows ferromagnetic order with the Curie temperature well above room temperature ( T c = 657 K) and a saturation magnetization of about 92 emu/g. Our results indicate that CoFeV 0.5 Mn 0.5 Si has a potential for room temperature spin-transport-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Functionalizing magnet additive manufacturing with in-situ magnetic field source

Additive manufacturing via 3-D printing technologies have become a frontier in materials research, including its application in the development and recycling of permanent magnets. This work addresses the opportunity to integrate magnetic field sources into 3-D printing process in order to enable printing, alignment of anisotropic permanent magnets or magnetizing of magnetic filler materials, without requiring further processing. Specifically, a nonaxisymmetric electromagnet-type field source architecture was designed, modelled, constructed, installed to a fused filament commercial 3-D printer, and tested. The testing was performed by applying magnetic field while printing composite anisotropic Nd-Fe-B + Sm-Fe-N powders bonded in Nylon12 (65 vol.%) and recycled Sm-Co powder bonded in PLA (15 vol.%). Magnetic characterization indicated that the degree-of-alignment of the magnet powders increased both with alignment field strength (controlled by the electric current applied to the magnetizing system) and the printing temperature. Both coercivity and remanence were found to be strongly dependent on the degree-of-alignment, except for printing performed below but near the Curie temperature of Nd-Fe-B (310 ° C). At applied field of 0.15 kOe, Sm-Co and hybrid Nd-Fe-B/Sm-Fe-N printed samples showed degrees-of-alignment of 83 % and 65 %, respectively. The variations in coercivity were consistent with previous observations in bonded magnet materials. This work verifies that integration of magnetic field sources into 3-D printing processes will result in magnetic alignment of particles while ensuring that other advantages of 3-D printing are retained.

3-D printing↗
DOE OSTI2024

Giant piezoelectricity in fluoropolymer fiber mats achieved by corona poling in water

Polymer piezoelectrics hold great potential for energy harvesting and wearable electronics. Efforts have been dedicated to enhancing piezoelectric coefficients and thermostability for several decades, but most of these have not been successful. In this report, we demonstrate a straightforward way to achieve high piezoelectric coefficients and output voltages while maintaining high thermostability at temperatures over 110 °C. Poly(vinylidene fluoride-co-trifluoroethylene) [P(VDF-TrFE)] 80/20 mol.% nanofiber mats (made by electrospinning) with extremely high crystallinity and Curie temperatures were obtained via a two-step annealing process, from which large ferroelectric domains were formed in extended-chain crystals. After corona poling using water, which is a high dielectric constant medium, giant piezoelectricity (apparent d 33 = 1045 ± 20 pC/N) and high output voltages (29.9 ± 0.5 V) were achieved. It is found that the dimensional effect induced significant polarization changes, which is the key requirement for piezoelectricity. Our finding in this work paves a way to further improve high-performance polymer piezoelectrics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Synthesis, Stability, and Magnetic Properties of Antiperovskite Co 3 PdN

Experimental synthesis and characterization of theoretically predicted compounds are important steps in the materials discovery pipeline. Here, we report on the synthesis of Co 3 PdN, which was recently predicted to be a stable magnetic antiperovskite. The Co 3 PdN thin films were grown by reactive sputtering and were confirmed to form in an antiperovskite crystal structure. The thermal stability of the compound is demonstrated up to 600 K by in situ X-ray diffraction, though the phase persists at slightly higher temperatures (700 K) in an air-free magnetometer. Both ab initio calculations and magnetization measurements find Co 3 PdN to be ferromagnetic with an experimentally determined Curie temperature of T C = 560 ± 5 K. The saturation magnetization of 1.2 μ B /Co found in the experiment is slightly lower than the 1.7 μ B /Co value expected by theory. A narrow magnetic hysteresis loop with a coercive field of 100 Oe at low temperature suggests that Co 3 PdN might be useful in electronic applications requiring fast switching of the magnetization vector. While prior prediction of Co 3 PdN showed a gapped electronic band structure for each spin channel, we show that this was due to incomplete sampling of Brillouin zone paths and that band crossings exist along R-X|M and X|M-R paths. The metallic nature of Co 3 PdN is further confirmed by temperature-dependent transport measurements, which also show a considerable anomalous Hall effect. Altogether, this work represents an appreciable step toward understanding the synthesis, structure, stability, and properties of a new magnetic material.

14 SOLAR ENERGY↗
DOE OSTI2020

Magnetocaloric effect in the vicinity of the magnetic phase transition in NdCo 2–x Fe x compounds

In the present paper, the magnetocaloric effect (MCE) of NdCo 2-x Fe x (x = 0, 0.2, 0.4, 0.6) compounds was investigated by magnetization measurements. Here, the temperature-dependent high-resolution synchrotron x-ray diffraction study shows a magnetostructural transition from the paramagnetic cubic phase to the ferromagnetic tetragonal phase below their Curie temperatures. Differential scanning calorimetry analysis shows the absence of thermal hysteresis, indicating the second-order nature of the magnetostructural phase transition in these compounds. The maximum values of magnetic entropy change (ΔS M ) and wide operating temperature (OT) are obtained under a field change of 5 T, which are 7.33 Jkg -1 K -1 , 6.45 Jkg -1 K -1 , 5.71 Jkg -1 K -1 , 4.70 Jkg -1 K -1 and 78 K, 82 K, 85 K, 92 K for x = 0, 0.2, 0.4, and 0.6, respectively. The corresponding values of relative cooling power (RCP) are 529.96 Jkg -1 , 497.25 Jkg -1 , 470.55 Jkg -1 , and 428.31 Jkg -1 . The observed wide OT range and large RCP values are comparable with Gd, Gd 5 Ge 2 Si 2 , and some rare-earth-based giant magnetocaloric materials, making this series of compounds suitable for magnetic refrigeration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic ordering through itinerant ferromagnetism in a metal-organic framework

In this report, the materials that combine magnetic order with other desirable physical attributes could find transformative applications in spintronics, quantum sensing, low-density magnets and gas separations. Among potential multifunctional magnetic materials, metal-organic frameworks, in particular, bear structures that offer intrinsic porosity, vast chemical and structural programmability, and the tunability of electronic properties. Nevertheless, magnetic order within metal-organic frameworks has generally been limited to low temperatures, owing largely to challenges in creating a strong magnetic exchange. Here we employ the phenomenon of itinerant ferromagnetism to realize magnetic ordering at T C = 225 K in a mixed-valence chromium(II/III) triazolate compound, which represents the highest ferromagnetic ordering temperature yet observed in a metal-organic framework. The itinerant ferromagnetism proceeds through a double-exchange mechanism, which results in a barrierless charge transport below the Curie temperature and a large negative magnetoresistance of 23% at 5 K. These observations suggest applications for double-exchange-based coordination solids in the emergent fields of magnetoelectrics and spintronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Large electromechanical strain and unconventional domain switching near phase convergence in a Pb-free ferroelectric

In many ferroelectrics, large electromechanical strains are observed near regions of composition- or temperature- driven phase coexistence. Phenomenologically, this is attributed to easy re-orientation of the polarization vector and/or phase transition, although their effects are highly convoluted and difficult to distinguish experimentally. Here, we used synchrotron X-ray scattering and digital image correlation to differentiate between the microscopic mechanisms leading to large electrostrains in an exemplary Pb-free piezoceramic Sn-doped barium calcium zirconate titanate. Large electrostrains of ~0.2% measured at room-temperature are attributed to an unconventional effect, wherein polarization switching is aided by a reversible phase transition near the tetragonal-orthorhombic phase boundary. Additionally, electrostrains of ~0.1% or more could be maintained from room temperature to 140°C due to a succession of different microscopic mechanisms. In situ X-ray diffraction elucidates that while 90° domain reorientation is pertinent below the Curie temperature ( T C ), isotropic distortion of polar clusters is the dominant mechanism above T C .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Probing phonon softening in ferroelectrics by scanning probe microwave spectroscopy

Microwave measurements have recently been successfully applied to measure ferroelectric materials on the nanoscale, including detection of polarization switching and ferroelectric domain walls. In this study we discuss the question of whether scanning probe microscopy operating at microwave frequency can identify the changes associated with the soft phonon dynamics in a ferroic. The analytical expressions for the electric potential, complex impedance, and dielectric losses are derived and analyzed, since these physical quantities are linked to experimentally measurable properties of the ferroic. As a ferroic we consider virtual or proper ferroelectric with an optic phonon mode that softens at a Curie point. We also consider a decay mechanism linked to the conductance of the ferroic, thus manifesting itself as the dielectric loss in the material. Our key finding is that the influence of the soft phonon dispersion on the surface potential distribution, complex impedance, and dielectric losses are evidently strong in the vicinity (~10–30 K) of the Curie temperature. Additionally, we quantified how the spatial distribution and frequency spectra of the complex impedance and the dielectric losses react on the dynamics of the soft phonons near the Curie point. These results set the stage for characterization of polar phase transitions with nanoscale microwave measurements, providing a complementary approach to well established electromechanical measurements for fundamental understanding of ferroelectric properties as well as their applications in telecommunication and computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Quantum Phase Engineering of Two-Dimensional Post-Transition Metals by Substrates: Toward a Room-Temperature Quantum Anomalous Hall Insulator

In this work, we propose a new strategy to engineer topological and magnetic properties of two-dimensional (2D) hexagonal lattices consisting of post-transition metals. Our first-principles calculations demonstrate that substrates serve as templates to form 2D lattices with high thermodynamic stability, where their topological properties as well as magnetic properties sensitively change as a function of lattice constants, i.e., the system undergoes a first-order phase transition from nonmagnetic to ferromagnetic state above a critical lattice constant. Consequently, substrates can be used to explore versatile magnetic, electronic, and quantum topological properties. We establish phase diagrams of versatile quantum phases in terms of exchange coupling and spin–orbit coupling effectively tuned by the lattice constants. We further reveal the first room-temperature quantum anomalous Hall (QAH) effect, i.e., Sn on 2√3 × 2√3 graphane is a QAH insulator with a large spin–orbit coupling gap of ~0.2 eV and a Curie temperature of ~380 K by using the 2D anisotropic Heisenberg model.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Collapse of Jahn-Teller phonons in La 1−x Sr x MnO 3 with weak magnetoresistance

Perovskite manganites are quantum materials exhibiting competing interactions inducing colossal magnetoresistance (CMR). The prevailing theory of CMR highlights the essential role of electron-phonon coupling (EPC), but mounting evidence suggests the underlying mechanism is more complicated. Here, we investigate phonons and spin-phonon coupling in ferromagnetic CMR manganites La 1−x Sr x MnO 3 (x=0.2,0.3) with relatively small CMR associated with melting of the magnetic order above room temperature. High-resolution neutron scattering experiments combined with density functional theory (DFT) show that the low-temperature ferromagnetic phase is conventional: neutron scattering from phonons agrees with DFT predictions and magnons follow sinusoidal dispersions. Fluctuating magnetic moments and low-energy phonons remain conventional in the high-temperature paramagnetic phase, indicating the Mn and La/Sr sublattices are not strongly perturbed by melting of ferromagnetism. In contrast, the Jahn–Teller-active optical oxygen vibrations collapse entirely above the Curie temperature, despite low CMR in these compositions, with some of the lost spectral weight reappearing as quasielastic scattering. We attribute this highly anomalous behavior to giant EPC in the charge and/or orbital channel. It drives cooperative diffusive motion of quasistatic carrier-trapping oxygen sublattice distortions once ferromagnetism disappears. We hypothesize the magnitude of magnetoresistance correlates with the rate of diffusion rather than with the strength of Jahn–Teller EPC.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Low energy electrodynamics of CrI 3 layered ferromagnet

We report on the optical properties from terahertz (THz) to Near-Infrared (NIR) of the layered magnetic compound CrI 3 at various temperatures, both in the paramagnetic and ferromagnetic phase. In the NIR spectral range, we observe an insulating electronic gap around 1.1 eV which strongly hardens with decreasing temperature. The blue shift observed represents a record in insulating materials and it is a fingerprint of a strong electron-phonon interaction. Moreover, a further gap hardening is observed below the Curie temperature, indicating the establishment of an effective interaction between electrons and magnetic degrees of freedom in the ferromagnetic phase. Similar interactions are confirmed by the disappearance of some phonon modes in the same phase, as expected from a spin-lattice interaction theory. Therefore, the optical properties of CrI 3 reveal a complex interaction among electronic, phononic and magnetic degrees of freedom, opening many possibilities for its use in 2-Dimensional heterostructures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Spin dynamics and relaxation in 7.6 nm thin film of La 0.7 Sr 0.3 MnO 3 /SrTiO 3 : ac magnetic susceptibility and magnetic viscosity investigations

Analysis of the results from our investigations of the temperature dependence of ac susceptibilities (χ' and χ'') and magnetic viscosity in a 7.6 nm thin film of La 0.7 Sr 0.3 MnO 3 grown on SrTiO 3 (001) substrate is presented. The Curie temperature (T C ) of this film is magnetic field (H) dependent, varying as [T C (H) - T C (0)] ~ H n with T C (0) = 270 K and n = 0.15. Temperature dependence of χ' and χ'' measured at ac frequencies f m in the range of 0.1–10 kHz shows a broad peak near 230 K associated with the blocking temperature (T B ) of spin clusters present in the 1.4 nm surface layer and a frequency dependent peak near 270 K associated with T C . The mean relaxation time τ determined from the Cole–Cole analysis of the temperature dependent χ' and χ'' is shown to fit the Vogel–Fulcher law: τ = τ 0 exp[ΔE/k B (T - T 0 )] with T 0 = 245 K, ΔE/k B = 270 K = T C and τ 0 = 1.2 x 10 -9 s. Magnetic viscosity S (measured in H = 0 for a sample cooled in H = 50 Oe) determined from the fit to the magnetization: M (t)= M (0) – S ln t, with time t up to 2 h, shows a peak at 230 K above which M (2 h) switches to negative values for temperatures up to T C (0). It is argued that this negative magnetization results from an interaction between the superparamagnetic spin clusters and the ferromagnetic phase, both being present in the temperature range of T B < T < T C .

36 MATERIALS SCIENCE↗
NASA NTRS1972

A proposed magnetic digital temperature transducer, volume 1

A study has been made of the feasibility of using the discontinuous permeability versus temperature characteristics of some magnetic materials for a digital temperature transducer and a thermally controlled ON-OFF switch. Simple logic converts the number of output pulse to a digital word recognizable by the system. Efforts have been concentrated on materials with Curie temperatures between 0 and 100 C. One compound has the composition Mn(5-x)Fe(x)Ge3 where the amount of iron determines the transition temperature. The other compound is Ni-Zn ferrite and has the compositon Ni(1-x)Zn(x)Fe(1.95)O4 where the nickel: zinc ratio determines the transition temperature. A detailed report of materials prepared is presented. Toroidal inductors of the material have been constructed and the change in inductance with temperature measured. In view of these initial measurements, it is felt that a transducer utilizing the permeability versus temperature characteristics of these materials has promise as a reliable and sensitive solid state digital temperature transducer.

Collier, T. E.↗