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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Obsidian in the Casas Grandes world: Procurement, exchange, and interaction in Chihuahua, Mexico, CE 1200-1450

The Casas Grandes area in Chihuahua, Mexico and the site of Paquime was the center of one the largest regional systems in the U.S. Southwest and Mexican Northwest (SW/NW) during the Medio period (CE 1200-1450). People participated in local and distant exchange networks with groups in the SW/NW, Mesoamerica, and West Mexico. Our knowledge of which obsidian sources people used in Casas Grandes is limited, despite how obsidian could have derived from many different places. We examine how the use of specific obsidian sources may relate to broader political and economic relationships within the Casas Grandes regional system and its association with the Mimbres and Animas regions of the SW/NW. We sourced 116 artifacts using EDXRF spectrometry from four sites that neighbor Paquime. Results demonstrate people used obsidian from Chihuahua, Sonora, and New Mexico. Furthermore, there were varying levels of social interaction and regional integration because there is diversity in source use at the site level, and Casas Grandes were more connected to the Animas region than Mimbres regarding obsidian resource procurement.

58 GEOSCIENCES↗
DOE OSTI2021

Evolution of magnetic interactions in Sb-substituted MnBi 2 Te 4

The Mn(Bi 1–x Sb x ) 2 Te 4 series is purported to span from an antiferromagnetic (AF) topological insulator at x = 0 to a trivial AF insulator at x = 1. Here we report on neutron diffraction and inelastic neutron scattering studies of the magnetic interactions across this series. All compounds measured possess ferromagnetic (FM) triangular layers and we find a crossover from AF to FM interlayer coupling near x = 1 for our samples. The large spin gap at x = 0 closes rapidly and the average FM exchange interactions within the triangular layer increase with Sb substitution. Similar to a previous study of MnBi 2 Te 4 , we find severe spectral broadening which increases dramatically across the compositional series. In addition to broadening, we observe an additional sharp magnetic excitation in MnSb 2 Te 4 that may indicate the development of local magnetic modes originating from antisite disorder between Mn and Sb sublattices. Here, the results suggest that both substitutional and antisite disorder contribute substantially to the magnetism in Mn(Bi 1–x Sb x ) 2 Te 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

DFT Study on Metamagnetics β-M (OH) 2 ( M = Mn, Fe, Co, Ni)

First-principles calculations have been carried out in order to analyze the structural, vibrational, and magnetic properties in the A -type antiferromagnetic (AFM) - M(OH) 2 metal transition hydroxides. Theoretical results demonstrate a quasi layer-by-layer magnetic behavior with strong ferromagnetic (FM) interactions in the intralayer plane and weak AFM behavior between the interlayer. This behavior corresponds to an A -type AFM behavior for - M (OH) 2 ( M = Mn, Fe, Co, and Ni) with energy differences around 3.0 meV with respect to the FM state. Structural analysis reveal a clear influence of Van der Waals (VdW) interactions in the stabilization of the phase giving high accuracy in lattice parameter when compared to experimental findings. Qualitative analysis of the magnetic exchange interactions reveals a higher exchange intralayer interaction for M = Ni, and higher exchange or dipolar interlayer interactions for M = Mn. Vibrational analysis, in the M = Ni case, demonstrate a correct IR and Raman modes assignments according to experimental results on the P ¯3 m 1 space group.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A high-temperature ferromagnetic topological insulating phase by proximity coupling

Topological insulators are insulating materials that display conducting surface states protected by time-reversal symmetry 1 , 2 , wherein electron spins are locked to their momentum. This unique property opens up new opportunities for creating next-generation electronic, spintronic and quantum computation devices 3 , 4 , 5 . Introducing ferromagnetic order into a topological insulator system without compromising its distinctive quantum coherent features could lead to the realization of several predicted physical phenomena 6 , 7 . In particular, achieving robust long-range magnetic order at the surface of the topological insulator at specific locations without introducing spin-scattering centres could open up new possibilities for devices. Here we use spin-polarized neutron reflectivity experiments to demonstrate topologically enhanced interface magnetism by coupling a ferromagnetic insulator (EuS) to a topological insulator (Bi 2 Se 3 ) in a bilayer system. This interfacial ferromagnetism persists up to room temperature, even though the ferromagnetic insulator is known to order ferromagnetically only at low temperatures (<17 K). The magnetism induced at the interface resulting from the large spin–orbit interaction and the spin–momentum locking of the topological insulator surface greatly enhances the magnetic ordering (Curie) temperature of this bilayer system. The ferromagnetism extends ~2 nm into the Bi 2 Se 3 from the interface. Owing to the short-range nature of the ferromagnetic exchange interaction, the time-reversal symmetry is broken only near the surface of a topological insulator, while leaving its bulk states unaffected. The topological magneto-electric response originating in such an engineered topological insulator 2 , 8 could allow efficient manipulation of the magnetization dynamics by an electric field, providing an energy-efficient topological control mechanism for future spin-based technologies

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

First-principles and cluster expansion study of the effect of magnetism on short-range order in Fe–Ni–Cr austenitic stainless steels

Short-range order (SRO), the regular and predictable arrangement of atoms over short distances, alters the mechanical properties of technologically relevant structural materials such as medium/high entropy alloys and austenitic stainless steels. In this study, we present a generalized spin cluster expansion (CE) model and show that magnetism is a primary factor influencing the level of SRO present in austenitic Fe-Ni-Cr alloys. The spin CE consists of a chemical cluster expansion combined with an Ising model for Fe-Ni-Cr austenitic alloys. It explicitly accounts for local magnetic exchange interactions, thereby capturing the effects of finite temperature magnetism on SRO. Model parameters are obtained by fitting to a first-principles data set comprising both chemically and magnetically diverse FCC configurations. The magnitude of the magnetic exchange interactions are found to be comparable to the chemical interactions. Compared to a conventional implicit magnetism CE built from only magnetic ground state configurations, the spin CE shows improved performance on several experimental benchmarks over a broad spectrum of compositions, particularly at higher temperatures due to the explicit treatment of magnetic disorder. We find that SRO is strongly influenced by alloy Cr content, since Cr atoms prefer to align antiferromagnetically with nearest neighbors but become magnetically frustrated with increasing Cr concentration. Using the spin CE, we predict that increasing the Cr concentration in typical austenitic stainless steels promotes the formation of SRO and increases order-disorder transition temperatures. Furthermore, this study underscores the significance of considering magnetic interactions explicitly when exploring the thermodynamic properties of complex transition metal alloys. It also highlights guidelines for customizing SRO through adjustments of alloy composition.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Anti-site mixing and magnetic properties of Fe 3 Co 3 Nb 2 studied via neutron powder diffraction

Here, we studied the crystal structure and magnetic properties of the rare-earth-free intermetallic compound Fe 3 Co 3 Nb 2 , which has recently been demonstrated to have potentially high magnetic anisotropy, using temperature-dependent neutron powder diffraction. Furthermore, the temperature dependence of the diffraction spectra reveals a magnetic transition between 300 and 400 K, in agreement with the magnetometry measurements. According to the structural refinement of the paramagnetic state and the substantial magnetic contribution to the diffuse scattering in the ferromagnetic state, the Fe/Co anti-site mixing is so strong that the site occupation for Fe and Co is almost random. The projection of the magnetic moments turned out to be non-zero along the c axis and in the a–b plane of Fe 3 Co 3 Nb 2 , most likely because of the exchange interactions between the randomly orientated nanograins in the samples. These findings suggest that future studies on the magnetism of Fe 3 Co 3 Nb 2 need to take the Fe/Co anti-site mixing into account, and the exchange interactions need to be suppressed to obtain large remanence and coercivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Spin dynamics in natural multiferroic pyroxene NaFeSi 2 ⁢O 6

Spin dynamics in the natural mineral aegirine, NaFeSi 2⁢ O 6 , a member of the pyroxene family, was studied by elastic and inelastic neutron scattering. Magnetization and specific-heat measurements as well as single-crystal neutron diffraction maps, taken in the temperature range 2–20 K, confirm two successive magnetic transitions at 8.8 and 5.8 K, consistent with previous studies. The observed spin-wave excitations emerge from the incommensurate magnetic Bragg peaks corresponding to the propagation vector 𝑘 ICM = (0,0.77,0), and extend up to energies of about 1.5 meV. In the low-temperature helical phase, the spin dynamics of the Fe3+ ions is well described by a simple linear spin-wave model. The observed excitations can be modeled using a spin Hamiltonian that includes three primary exchange interactions—intrachain coupling 𝐽 = 0.142⁢(2) ⁢meV, and interchain couplings 𝐽 1 = 0.083⁢(1) ⁢meV and 𝐽 2 = 0.186⁢(1) meV—and an easy-plane anisotropy 𝐷 = 0.020⁢(6)⁢ meV. Furthermore, our results show that no single exchange interaction dominates the spin dynamics. The similar strengths of the intrachain and interchain couplings point to the fact that the magnetic interactions in aegirine are three dimensional rather than confined along one direction. As a result, the system cannot be considered quasi one dimensional, as previously suggested, and calls for further investigations.

Magnetic coupling↗
DOE OSTI2018

Magnetic interactions in PdCrO 2 and their effects on its magnetic structure

We report a neutron scattering study of the metallic triangular lattice antiferromagnet PdCrO 2 . Powder neutron diffraction measurements confirm that the crystalline space group symmetry remains R$\bar{3}$m below T N . This implies that magnetic interactions consistent with the crystal symmetry do not stabilize the noncoplanar magnetic structure, which was one of two structures previously proposed on the basis of single crystal neutron diffraction measurements. Inelastic neutron scattering measurements find two gaps at low energies, which can be explained as arising from a dipolar-type exchange interaction. This symmetric anisotropic interaction also stabilizes a magnetic structure very similar to the coplanar magnetic structure, which was also suggested by the single crystal diffraction study. In conclusion, the higher-energy magnon dispersion can be modelled by linear spin-wave theory with exchange interactions up to sixth nearest neighbors, but discrepancies remain which hint at additional effects unexplained by the linear theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Switching of Magnetic Order via Non‐Magnetic Al Addition in FeCoNiMnAl x Films

Magnetic high entropy alloys (HEAs) consisting of 3 d transition metals offer an exciting platform to explore novel magnetic phases as they often house competing exchange interactions in combination with random site disorders. In this work, a sensitive and tunable magnetic order is demonstrated in sputtered single-layer FeCoNiMnAl x films, as a function of non-magnetic Al addition, along with an unexpected exchange bias effect. Thin films of 50 nm FeCoNiMn exhibit a face-centered-cubic ( fcc ) phase, reentrant spin glass (SG) transition near 100 K, and a large exchange bias of over 500 Oe after field-cooling to 5 K. The exchange bias is increased to 930 Oe through a small addition of 5 at.% Al. Further Al addition to 12 at.% results in a body-centered-cubic ( bcc ) phase, coinciding with a large increase in the saturation magnetization, decrease of exchange bias to 50 Oe, and suppression of SG behavior. The change in magnetic order across the Al-induced structural transformation is mediated by the switching of Mn ground state from AF to FM, which is supported by first-principles calculations and experimentally confirmed via X-ray magnetic circular dichroism. These results open up new HEA strategies for explorations of novel magnetic phases.

competing exchange interactions↗
DOE OSTI2025

Pressure tuning of Kitaev spin liquid candidate Na 3 Co 2 SbO 6

The search for Kitaev’s quantum spin liquid in real materials has recently expanded with the prediction that honeycomb lattices of divalent, high-spin cobalt ions could host the dominant bond-dependent exchange interactions required to stabilize the elusive entangled quantum state. The layered honeycomb Na 3 Co 2 SbO 6 has been singled out as a leading candidate provided that the trigonal crystal field acting on Co 3d orbitals, which enhances non-Kitaev exchange interactions between $J$ eff = $\frac{1}{2}$ spin-orbital pseudospins, is reduced. Here we show that applied pressure leads to anisotropic compression of the layered structure, significantly reducing the trigonal distortion of CoO 6 octahedra. Ferromagnetic correlations between pseudospins are enhanced in the spin-polarized (3 Tesla) phase up to about 60 GPa. Higher pressures drive a high-spin to low-spin transition destroying the $J$ eff = $\frac{1}{2}$ moments required to map the spin Hamiltonian into Kitaev’s model. The spin transition strongly suppresses the low-temperature magnetic susceptibility and appears to stabilize a paramagnetic phase driven by frustration. The possible emergence of frustrated magnetism of localized $S$ = $\frac{1}{2}$ moments opens the door for exploration of novel magnetic quantum states in compressed honeycomb lattices of divalent cobaltates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Pressure tuning of Kitaev spin liquid candidate Na$_3$Co$_2$SbO$_6$goo

The search for Kitaev's quantum spin liquid (KQSL) state in real materials has recently expanded with the prediction that honeycomb lattices of divalent, high-spin cobalt ions could host the dominant bond-dependent exchange interactions required to stabilize the elusive entangled quantum state. The layered honeycomb Na$_3$Co$_2$SbO$_6$ has been singled out as a leading candidate provided that the trigonal crystal field acting on Co $3d$ orbitals, which enhances non-Kitaev exchange interactions between $J_{\rm eff}=\frac{1}{2}$ spin-orbital pseudospins, is reduced. We find that applied pressure leads to anisotropic compression of the layered structure, significantly reducing the trigonal distortion of CoO$_6$ octahedra. A strong enhancement of ferromagnetic correlations between pseudospins is observed in the spin-polarized (3 Tesla) phase up to about 60 GPa. Higher pressures drive a spin transition into a low-spin state destroying the $J_{\rm eff}=\frac{1}{2}$ local moments required to map the spin Hamiltonian into Kitaev's model. The spin transition strongly suppresses the low-temperature magnetic susceptibility and appears to stabilize a paramagnetic phase driven by frustration. Although applied pressure fails to realize a KQSL state, the possible emergence of frustrated magnetism of localized, low-spin $S=\frac{1}{2}$ moments opens the door for exploration of novel magnetic quantum states in compressed honeycomb lattices of divalent cobaltates.

FOS: Physical sciences↗
DOE OSTI2022

Orbital Angular Momentum of Magnons in Collinear Magnets

We study the orbital angular momentum of magnons for collinear ferromagnet (FM) and antiferromagnetic (AF) systems with nontrivial networks of exchange interactions. The orbital angular momentum of magnons for AF and FM zigzag and honeycomb lattices becomes nonzero when the lattice contains two inequivalent sites and is largest at the avoided-crossing points or extremum of the frequency bands. Hence, the arrangement of exchange interactions may play a more important role at producing the orbital angular momentum of magnons than the spin-orbit coupling energy and the resulting noncollinear arrangement of spins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Light-induced Kondo-like exciton-spin interaction in neodymium(II) doped hybrid perovskite

Abstract Tuning the properties of a pair of entangled electron and hole in a light-induced exciton is a fundamentally intriguing inquiry for quantum science. Here, using semiconducting hybrid perovskite as an exploratory platform, we discover that Nd 2+ -doped CH 3 NH 3 PbI 3 (MAPbI 3 ) perovskite exhibits a Kondo-like exciton-spin interaction under cryogenic and photoexcitation conditions. The feedback to such interaction between excitons in perovskite and the localized spins in Nd 2+ is observed as notably prolonged carrier lifetimes measured by time-resolved photoluminescence, ~10 times to that of pristine MAPbI 3 without Nd 2+ dopant. From a mechanistic standpoint, such extended charge separation states are the consequence of the trap state enabled by the antiferromagnetic exchange interaction between the light-induced exciton and the localized 4 f spins of the Nd 2+ in the proximity. Importantly, this Kondo-like exciton-spin interaction can be modulated by either increasing Nd 2+ doping concentration that enhances the coupling between the exciton and Nd 2+ 4 f spins as evidenced by elongated carrier lifetime, or by using an external magnetic field that can nullify the spin-dependent exchange interaction therein due to the unified orientations of Nd 2+ spin angular momentum, thereby leading to exciton recombination at the dynamics comparable to pristine MAPbI 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2019

Competing phases of interacting electrons on triangular lattices in moiré heterostructures

We study the quantum many-body instabilities of interacting electrons with SU(2) × SU(2) symmetry in spin and orbital degrees of freedom on the triangular lattice near van-Hove filling. Our work is motivated by effective models for the flat bands in hexagonal moiré heterostructures like twisted bilayer boron nitride and trilayer graphene-boron nitride systems. We consider an extended Hubbard model including onsite Hubbard and Hund's couplings, as well as nearest-neighbor exchange interactions, and analyze the different ordering tendencies with the help of an unbiased functional renormalization group approach. We find three classes of instabilities controlled by the filling and bare interactions. For a nested Fermi surface at van-Hove filling, Hund-like couplings induce a weak instability towards spin or orbital density wave phases. An SU(4) exchange interaction moves the system towards a Chern insulator, which is robust with respect to perturbations from Hund-like interactions or deviations from perfect nesting. Further, in an extended range of fillings and interactions, we find topological d ± id and (spin-singlet)-(orbital-singlet) f -wave superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Control of the third dimension in copper-based square-lattice antiferromagnets

Using a mixed-ligand synthetic scheme, we create a family of quasi-two-dimensional antiferromagnets, namely, [Cu(HF 2 )(pyz) 2 ]ClO 4 [pyz = pyrazine], [CuL 2 (pyz) 2 ](ClO 4 ) 2 [L = pyO = pyridine-N-oxide and 4-phpy-O = 4-phenylpyridine-N-oxide. These materials are shown to possess equivalent two-dimensional [Cu(pyz) 2 ] 2+ nearly square layers, but exhibit interlayer spacings that vary from 6.5713 to 16.777 Å, as dictated by the axial ligands. We present the structural and magnetic properties of this family as determined via x-ray diffraction, electron-spin resonance, pulsed- and quasistatic-field magnetometry and muon-spin rotation, and compare them to those of the prototypical two-dimensional magnetic polymer Cu(pyz) 2 (ClO 4 ) 2 . We find that, within the limits of the experimental error, the two-dimensional, intralayer exchange coupling in our family of materials remains largely unaffected by the axial ligand substitution, while the observed magnetic ordering temperature (1.91 K for the material with the HF 2 axial ligand, 1.70 K for the pyO and 1.63 K for the 4-phpy-O) decreases slowly with increasing layer separation. Despite the structural motifs common to this family and Cu(pyz) 2 (ClO 4 ) 2 , the latter has significantly stronger two-dimensional exchange interactions and hence a higher ordering temperature. Here, we discuss these results, as well as the mechanisms that might drive the long-range order in these materials, in terms of departures from the ideal S = 1/2 two-dimensional square-lattice Heisenberg antiferromagnet. In particular, we find that both spin-exchange anisotropy in the intralayer interaction and interlayer couplings (exchange, dipolar, or both) are needed to account for the observed ordering temperatures, with the intralayer anisotropy becoming more important as the layers are pulled further apart.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Out-of-plane magnetic phase diagram of the Kitaev quantum magnet Na 2 Co 2 TeO 6

We have investigated the magnetic properties and mapped out the phase diagram of the honeycomb magnet Na 2⁢ Co 2 ⁢TeO 6 with Co 3d 7 in out-of-plane magnetic fields. This material has previously been proposed to show nearest-neighbor Kitaev interactions between Co spins and maybe even Kitaev quantum spin liquid behavior in high fields. At 0.01 T, we observe a thermal phase transition at T N = 27K, transitioning from a paramagnetic state to a canonical ferrimagnetic state. Upon increasing the magnetic field, a spin-floplike phase transition occurred before saturation of J = 1/2 between 10 K and T N . Below 10 K, a peak-dip-peak structure emerges between 10 and 17 T in the magnetic susceptibility (d⁢M/⁢dH) before the magnetic saturation, reminiscent of magnetization plateau behavior. The measurement of the magnetocaloric effect also shows dip-peak-dip behavior in this field range. Our data can be explained by an XXZ model with a single ion anisotropy and possibly small Kitaev and Γ exchange interactions. Finally, we also determined the magnetization saturation field that helps constrain the energy scale of the exchange interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tuning the magnetic properties of the spin-split antiferromagnet MnTe through pressure

The hexagonal antiferromagnet MnTe has attracted enormous interest as a prototypical example of a spin-compensated magnet in which the combination of crystal and spin symmetries lifts the spin degeneracy of the electron bands without the need for spin-orbit coupling, a phenomenon called nonrelativistic spin splitting (NRSS). Subgroups of NRSS are determined by the specific spin-interconverting symmetry that connects the two opposite-spin sublattices. In MnTe, this symmetry is rotation, leading to the subgroup with spin splitting away from the Brillouin zone center, often called altermagnetism. MnTe also has the largest spontaneous magnetovolume effect of any known antiferromagnet, implying strong coupling between the magnetic moment and volume. This magnetostructural coupling offers a potential knob for tuning the spin-splitting properties of MnTe. Here, we use neutron diffraction with in situ applied pressure to determine the effects of pressure on the magnetic properties of MnTe and further explore this magnetostructural coupling. We find that applying pressure significantly increases the Néel temperature, but decreases the ordered magnetic moment. We explain this as a consequence of strengthened magnetic exchange interactions under pressure, resulting in higher 𝑇 N , with a simultaneous reduction of the local moment of individual Mn atoms, described here via density functional theory. This reflects the increased orbital hybridization and electron delocalization with pressure. In conclusion, these results shed light on the competition between magnetic exchange interactions and the strength of individual magnetic moments and show that the magnetic properties of MnTe can be controlled by pressure, opening the door to improved properties for spintronic applications through tuning via physical or chemical pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗