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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Two-dimensional itinerant ferromagnetism in atomically thin Fe 3 GeTe 2

Discoveries of intrinsic two-dimensional (2D) ferromagnetism in van der Waals (vdW) crystals provide an interesting arena for studying fundamental 2D magnetism and devices that employ localized spins1,2,3,4. However, an exfoliable vdW material that exhibits intrinsic 2D itinerant magnetism remains elusive. We demonstrate that Fe 3 GeTe 2 (FGT), an exfoliable vdW magnet, exhibits robust 2D ferromagnetism with strong perpendicular anisotropy when thinned down to a monolayer. Layer-number-dependent studies reveal a crossover from 3D to 2D Ising ferromagnetism for thicknesses less than 4 nm (five layers), accompanied by a fast drop of the Curie temperature (T C ) from 207 K to 130 K in the monolayer. For FGT flakes thicker than ~15 nm, a distinct magnetic behaviour emerges in an intermediate temperature range, which we show is due to the formation of labyrinthine domain patterns. Our work introduces an atomically thin ferromagnetic metal that could be useful for the study of controllable 2D itinerant ferromagnetism and for engineering spintronic vdW heterostructures5.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Defect-mediated ferromagnetism in correlated two-dimensional transition metal phosphorus trisulfides

Controlling the magnetic spin states of two-dimensional (2D) van der Waals (vdW) materials with strong electronic or magnetic correlation is important for spintronic applications but challenging. Crystal defects that are often present in 2D materials such as transition metal phosphorus trisulfides (MPS 3 ) could influence their physical properties. Here, we report the effect of sulfur vacancies on the magnetic exchange interactions and spin ordering of few-layered vdW magnetic Ni 1-x Co x PS 3 nanosheets. Magnetic and structural characterization in corroboration with theoretical calculations reveal that sulfur vacancies effectively suppress the strong intralayer antiferromagnetic correlation, giving rise to a weak ferromagnetic ground state in Ni 1-x Co x PS 3 nanosheets. Notably, the magnetic field required to tune this ferromagnetic state (<300 Oe) is much lower than the value needed to tune a typical vdW antiferromagnet (> several thousand oersted). These findings provide a previously unexplored route for controlling competing correlated states and magnetic ordering by defect engineering in vdW materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Negative Thermal Expansion in (Hf,Ti)Fe 2 Induced by the Ferromagnetic and Antiferromagnetic Phase Coexistence

Negative thermal expansion (NTE) is an intriguing physical phenomenon that can be used in the applications of thermal expansion adjustment of materials. In this study, we report a NTE compound of (Hf,Ti)Fe 2 , while both end members of HfFe 2 and TiFe 2 show positive thermal expansion. The results reveal that phase coexistence is detected in the whole NTE zone, in which one phase is ferromagnetic (FM), while the other is antiferromagnetic (AFM). With increasing temperature, the FM phase is gradually transformed to the AFM one. The NTE phenomenon occurs in the present (Hf,Ti)Fe 2 because of the fact that the unit cell volume of the AFM phase is smaller than that of the FM phase, and the mass fraction of the AFM phase increases with increasing temperature. The construction of phase coexistence can be a method to achieve NTE materials in future studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Theoretical Investigation of Half-Metallic Ferromagnetism in Sodium-Based Fluoro-perovskite NaXF{sub 3} (X = V, Co)

We report on the structural, mechanical, magneto-electronic and thermodynamic properties of cubic sodium based fluoro-perovskite NaXF3 (X = V, Co) through density functional theory (DFT). The generalized gradient approximation of Perdew, Burke, and Ernzerh (GGA-PBE) and the Tran-Blaha modified Becke-Johnson potential (TB-mBJ) are used for modeling exchange-correlation effects. The calculated lattice parameters agree well with the experimental measurements. Elastic properties show that these compounds are mechanically stable. The results of spin-polarized band structure show a half metallic behavior of NaVF{sub 3} and NaCoF{sub 3}. The magnetic study shows that the nature of these compounds is ferromagnetic and the integer value of the total magnetic moment confirms the half metallicity for both materials. The thermodynamic characters are also investigated through quasi-harmonic approximation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Decisive role of magnetism in the interaction of chromium and nickel solute atoms with 1/2$\langle$111$\rangle$-screw dislocation core in body-centered cubic iron

Resistance to swelling under irradiation and a low rate of corrosion in high temperature environments make Fe-Cr and Fe-Cr-Ni alloys promising structural materials for energy technologies. In this paper we report the results obtained using a combination of density functional theory (DFT) techniques: plane wave basis set solutions for pseudo-potentials and multiple scattering solutions for all electron potentials. We have found a very strong role of magnetism in the stability of screw dislocation cores in pure Fe and their interaction with Cr and Ni magnetic impurities. In particular, the screw dislocation quadrupole in Fe is stabilized only in the presence of ferromagnetism. In addition, Ni atoms, who's magnetic moment is oriented along the magnetization direction of the Fe matrix, prefer to occupy in core positions whereas Cr atoms, which couple anti-ferromagnetically with the Fe matrix, prefer out of the dislocation core positions. In effect, Ni impurities are attracted to, while Cr impurities are repelled by the dislocation core. Moreover, we demonstrate that this contrasting behavior can be explained only by the nature of magnetic coupling of the impurities to the Fe matrix. In addition, Cr interaction with the dislocation core mirrors that of Ni if the Cr magnetic moment is constrained to be along the direction of Fe matrix magnetization. In addition, we have shown that the magnetic contribution can affect the impurity-impurity interaction at distances up to a few Burgers vectors. In particular, the distance between Cr atoms in Fe matrix should be at least 3–4 lattice parameters in order to eliminate finite size effects.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Shaping nanoscale magnetic domain memory in exchange-coupled ferromagnets by field cooling

The advance of magnetic nanotechnologies relies on detailed understanding of nanoscale magnetic mechanisms in materials. Magnetic domain memory (MDM), that is, the tendency for magnetic domains to repeat the same pattern during field cycling, is important for magnetic recording technologies. Here we demonstrate MDM in [Co/Pd]/IrMn films, using coherent X-ray scattering. Under illumination, the magnetic domains in [Co/Pd] produce a speckle pattern, a unique fingerprint of their nanoscale configuration. We measure MDM by cross-correlating speckle patterns throughout magnetization processes. When cooled below its blocking temperature, the film exhibits up to 100% MDM, induced by exchange-coupling with the underlying IrMn layer. The degree of MDM drastically depends on cooling conditions. If the film is cooled under moderate fields, MDM is high throughout the entire magnetization loop. Lastly, if the film is cooled under nearly saturating field, MDM vanishes, except at nucleation and saturation. Our findings show how to fully control the occurrence of MDM by field cooling.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Compositional dependence of the magnetic properties of epitaxial FeV/MgO thin films

Owing to their bcc structures and the low lattice misfit with MgO, FeV alloys are interesting for MgO-based magnetic tunnel junctions. We use vector network analyzer ferromagnetic resonance to measure the magnetization, anisotropy, exchange stiffness, and damping of epitaxial FeV/MgO thin alloys of various V contents. The low magnetization, very high exchange stiffness (23 pJ/m) and very low effective damping (<0.0026) of the alloy with 20% V content makes it an interesting candidate for spin torque applications. The ultralow damping is consistent with a spin-orbit origin, which sheds light on the possible strategies to reduce the damping in alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Competing and Anisotropic Exchange Interactions in the Kagome Lattice Ferromagnet Co 3 Sn 2 S 2

The kagome lattice ferromagnet, Co 3 Sn 2 S 2 , serves as template for a host of materials that exhibit exotic topological states, as well as a giant anomalous Hall state—a momentous realization in condensed matter physics. The anisotropic exchange interactions are probed by applying external magnetic fields in various directions along major crystal axes and the magneto-optical response is recorded. When magnetic fields are applied along the a–b plane, long-range magnetism forms and grows with increasing temperature. This counterintuitive behavior does not take place when the magnetic field is applied at a slight angle off the a–b plane. In fact, the opposite effect is observed for this exact configuration, as well as for other fields arrangements. Ab initio theoretical calculations reveal that anisotropic exchange interactions are the underlying mechanism leading to this peculiar behavior. Furthermore, the long-range ferromagnetic order along the c-axis is thought to coexist with an antiferromagnetic, or spin glass, state in the a–b plane, before becoming paramagnetic above the Curie temperature (T c ). These two coexisting magnetic states are thought to compete as the temperature approaches T c , with the antiferromagnetic state gaining strength compared to the ferromagnetic order.

Barua, Arup [University of South Florida, Tampa, F↗
DOE OSTI2021

Dielectric screening and electric field control of ferromagnetism at the CaMnO 3 /CaRuO 3 interface

Control of magnetism by an applied electric field is a desirable technique for the functionalization of magnetic materials. Motivated by recent experiments, we study the electric field control of the interfacial magnetism of CaRuO 3 /CaMnO 3 (CRO/CMO) (001), a prototype interface between a non-magnetic metal and an antiferromagnetic insulator. Even without the electric field, the interfacial CMO layer acquires a ferromagnetic moment due to a spin-canted state, caused by the Anderson-Hasegawa double exchange (DEX) between the Mn moments and the leaked electrons from the CRO side. An electric field would alter the carrier density at the interface, leading to the possibility of controlling the magnetism, since DEX is sensitive to the carrier density. We study this effect quantitatively using density-functional calculations in the slab geometry. We find a text-book like dielectric screening of the electric field, which introduces polarization charges at the interfaces and the surfaces. The extra charge at the interface enhances the ferromagnetism via the DEX interaction, while away from the interface the original AFM state of the Mn layers remains unchanged. The effect could have potential application in spintronics devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Investigating trends in actinide covalency and magnetism with 35/37 Cl SSNMR spectroscopy and first-principles calculations

Solid-state NMR (SSNMR) spectroscopy is a powerful technique for studying actinide chemistry but has been significantly limited due to the complex paramagnetism, and radiological hazards presented by these materials. Lanthanide and actinide salts often feature magnetic ordering and can be paramagnetic, ferromagnetic, or antiferromagnetic depending on temperature and electronic structure. Paramagnetic interactions can manifest in SSNMR both as secular spectral shifts and/or couplings as well as contributions from non-secular relaxation. Both effects can be directly measured with NMR and used to extrapolate rich chemical information such as coordination environments, bonding characteristics, local molecular dynamics, and correlation times. Typically, these studies are carried out on high-γ and highly abundant NMR-active isotopes (e.g., 1 H, 6/7 Li, 19 F, 23 Na, etc.) or on enriched rare isotopes (e.g., 2 H and 17 O), which can be expensive. Herein, we present a facile methodology to measure the 35/37 Cl electric-field gradient (EFG) and paramagnetic shift anisotropy (SA) tensor components using static wideline SSNMR measurements of LaCl 3 , NdCl 3 , UCl 3 , and UCl 4 . The static powder spectra were measured with both 35 Cl and 37 Cl SSNMR to increase the fidelity of the extracted tensor parameters. Variable temperature NMR of a select case confirms the Curie–Weiss paramagnetism. Relaxation measurements of both nuclei further corroborate observations owing to the paramagnetic relaxation enhancement and reveal simultaneous quadrupolar relaxation mechanisms. Density functional theory (DFT) calculations using Hubbard U corrections to the uranium valence orbitals show excellent agreement with experimental EFG tensor parameters and help describe the bonding characteristics in these lanthanide and actinide systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Pulsed laser deposition of high-quality thin films of the insulating ferromagnet EuS

High-quality thin films of the ferromagnetic insulator europium(II) sulfide (EuS) were fabricated by pulsed laser deposition on Al{sub 2}O{sub 3} (0001) and Si (100) substrates. A single orientation was obtained with the [100] planes parallel to the substrates, with atomic-scale smoothness indicates a near-ideal surface topography. The films exhibit uniform ferromagnetism below 15.9 K, with a substantial component of the magnetization perpendicular to the plane of the films. Optimization of the growth condition also yielded truly insulating films with immeasurably large resistance. This combination of magnetic and electric properties opens the gate for future devices that require a true ferromagnetic insulator.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Predictive design of intrinsic half-metallicity in zigzag tungsten dichalcogenide nanoribbons

Realization of half-metallicity with a sizable minority-spin gap and ferromagnetic ordering has been a central research emphasis in the development of next-generation spintronic devices. To date, only three-dimensional half-metals have been achieved experimentally, while their counterparts based on two-dimensional (2D) materials remain to be materialized despite extensive efforts based on various predictive designs. This standing challenge is largely due to stringent requirements to establish ferromagnetic order in low-dimensional systems. In this work, we use first-principles approaches to show that atomically thin zigzag tungsten dichalcogenide WX 2 (X = S, Se) nanoribbons preserving the stoichiometry of W : X = 1 : 2 stand as highly appealing intrinsic half-metallic systems, without invoking the prevailing approaches of applying an external electric field, chemical modification, or carrier doping. The readily accessible half-metallicity is attributed to distinctly different edge reconstructions, insulating along the X-terminated edges and metallic along the self-passivated W-terminated edges; the latter are further characterized by a robust spin-polarized electron transmission channel. These findings are expected to provide indispensable elemental building blocks for spintronic applications purely based on 2D materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Field-free topological behavior in the magnetic domain wall of ferrimagnetic GdFeCo

Exploring and controlling topological textures such as merons and skyrmions has attracted enormous interests from the perspective of fundamental research and spintronic applications. It has been predicted theoretically and proved experimentally that the lattice form of topological meron-skyrmion transformation can be realized with the requirement of external magnetic fields in chiral ferromagnets. However, such topological transition behavior has yet to be verified in other materials. Here, we report real-space observation of magnetic topology transformation between meron pairs and skyrmions in the localized domain wall of ferrimagnetic GdFeCo films without the need of magnetic fields. The topological transformation in the domain wall of ferrimagnet is introduced by temperature-induced spin reorientation transition (SRT) and the underlying mechanism is revealed by micromagnetic simulations. The convenient electric-controlling topology transformation and driving motion along the confined domain wall is further anticipated, which will enable advanced application in magnetic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

All-electric spin modulator based on a two-dimensional topological insulator

We propose and investigate a spin modulator device consisting of two ferromagnetic leads connected by a two-dimensional topological insulator as the channel material. It exploits the unique features of the topological spin-helical edge states, such that the injected carriers with a non-collinear spin-polarization direction would travel through both edges and show interference effect. The conductance of the device can be controlled in a simple and all-electric manner by a side-gate voltage, which effectively rotates the spin-polarization of the carrier. At low voltages, the rotation angle is linear in the gate voltage, and the device can function as a good spin-polarization rotator by replacing the drain electrode with a non-magnetic material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Towards diluted magnetism in TaAs

Magnetism in Weyl semimetals is desired to investigate the interaction between the magnetic moments and Weyl fermions, e.g., to explore anomalous quantum Hall phenomena. In this work, we demonstrate that proton irradiation is an effective tool to induce ferromagnetism in the Weyl semimetal TaAs. The intrinsic magnetism is observed with a transition temperature above room temperature. The magnetic moments from d states are found to be localized around Ta atoms. Further, the first-principles calculations indicate that the d states localized on the nearest-neighbor Ta atoms of As vacancy sites are responsible for the observed magnetic moments and the long-ranged magnetic order. The results show the feasibility of inducing ferromagnetism in Weyl semimetals so that they may facilitate the applications of this material in spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterization of Mn 5 Ge 3 Contacts on a Shallow Ge/SiGe Heterostructure

Mn 5 Ge 3 is a ferromagnetic phase of the Mn-Ge system that is a potential contact material for efficient spin injection and detection. Here, we investigate the creation of Mn 5 Ge 3 -based contacts on a Ge/SiGe quantum well heterostructure via solid-state synthesis. X-ray diffraction spectra fitting indicates the formation of Mn 5 Ge 3 -based contacts on bulk Ge and Ge/SiGe. High-resolution scanning transmission electron microscopy imaging and energy dispersive X-ray spectroscopy verify the correct Mn 5 Ge 3 -based phase formation. Schottky diode measurements, transmission line measurements, and Hall measurements reveal that Mn 5 Ge 3 -based contacts serve as good p-type contacts for Ge/SiGe quantum well heterostructures due to having a low Schottky barrier height of 0.10 eV (extracted from a Mn 5 Ge 3 /n-Ge analogue) and a contact resistance in the order of 1 kΩ. Furthermore, we show that these electrical characteristics have a gate-voltage dependence, thereby providing tunability.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit

Since the celebrated discovery of graphene, the family of two-dimensional (2D) materials has grown to encompass a broad range of electronic properties. Recent additions include spin-valley coupled semiconductors, Ising superconductors that can be tuned into a quantum metal, possible Mott insulators with tunable charge-density waves, and topological semi-metals with edge transport. Despite this progress, there is still no 2D crystal with intrinsic magnetism, which would be useful for many technologies such as sensing, information, and data storage. Theoretically, magnetic order is prohibited in the 2D isotropic Heisenberg model at finite temperatures by the Mermin-Wagner theorem. However, magnetic anisotropy removes this restriction and enables, for instance, the occurrence of 2D Ising ferromagnetism. Here, we use magneto-optical Kerr effect (MOKE) microscopy to demonstrate that monolayer chromium triiodide (CrI 3 ) is an Ising ferromagnet with out-of-plane spin orientation. Its Curie temperature of 45 K is only slightly lower than the 61 K of the bulk crystal, consistent with a weak interlayer coupling. Moreover, our studies suggest a layer-dependent magnetic phases, showcasing the hallmark thickness dependent physical properties typical of van der Waals crystals. Remarkably, bilayer CrI3 displays suppressed magnetization with a metamagnetic effect, while in trilayer the interlayer ferromagnetism observed in the bulk crystal is restored. Our work creates opportunities for studying magnetism by harnessing the unique features of atomically-thin materials, such as electrical control for realizing magnetoelectronics, and van der Waals engineering for novel interface phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Coherent control of magnetization precession in electrically detected time domain ferromagnetic resonance

We demonstrate coherent control of time domain ferromagnetic resonance by all electrical excitation and detection. Using two ultrashort magnetic field steps with variable time delay we control the induction decay in yttrium iron garnet (YIG). By setting suitable delay times between the two steps the precession of the magnetization can either be enhanced or completely stopped. The method allows for a determination of the precession frequency within a few precession periods and with an accuracy much higher than can be achieved using fast fourier transformation. Moreover it holds the promise to massively increase precession amplitudes in pulsed inductive microwave magnetometry (PIMM) using low amplitude finite pulse trains. Our experiments are supported by micromagnetic simulations which nicely confirm the experimental results.

36 MATERIALS SCIENCE↗