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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Structure and properties of NdCuGa 3 single crystals

Here this manuscript reports on the structural and magnetic properties of NdCuGa 3 using powder and single crystal X-ray diffraction (XRD), zero-field single crystal neutron diffraction, magnetization, and specific heat measurements. Our XRD on a single crystal specimen of NdCuGa3 confirmed that it crystallizes in the tetragonal BaNiSi 3 -type structure. A magnetic phase transition at T N = 3.3 K is assessed using specific heat and ac magnetic susceptibility measurements. No additional anomaly below T N down to 50 mK was detected by performing specific heat measurements. Neutron single crystal diffraction data collected at T = 300 mK confirm the antiferromagnetic phase below T N = 3.3 K with the propagation vector $\vec{\tau}$ = (0.2, 0, 0). Possible magnetic structure solutions of NdCuGa 3 are discussed

36 MATERIALS SCIENCE↗
DOE OSTI2019

Biomolecular Solvation Structure Revealed by Molecular Dynamics Simulations

To compare ordered water positions from experiment with those from molecular dynamics (MD) simulations, a number of MD models of water structure in crystalline endoglucanase were calculated. The starting MD model was derived from a joint X-ray and neutron diffraction crystal structure, enabling the use of experimentally assigned protonation states. Simulations were performed in the crystalline state, using a periodic 2 × 2 × 2 supercell with explicit solvent. Water X-ray and neutron scattering density maps were computed from MD trajectories using standard macromolecular crystallography methods. In one set of simulations, harmonic restraints were applied to bias the protein structure toward the crystal structure. For these simulations, the recall of crystallographic waters using strong peaks in the MD water electron density was very good, and there also was substantial visual agreement between the boomerang-like wings of the neutron scattering density and the crystalline water hydrogen positions. An unrestrained simulation also was performed. For this simulation, the recall of crystallographic waters was much lower. For both restrained and unrestrained simulations, the strongest water density peaks were associated with crystallographic waters. Overall, the results demonstrate that it is now possible to recover crystallographic water structure using restrained MD simulations but that it is not yet reasonable to expect unrestrained MD simulations to do the same. Further development and generalization of MD water models for force-field development, macromolecular crystallography, and medicinal chemistry applications is now warranted. In particular, the combination of room-temperature crystallography, neutron diffraction, and crystalline MD simulations promises to substantially advance modeling of biomolecular solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Flat-band magnetism and helical magnetic order in Ni-doped SrCo 2 As 2

A series of Sr(Co 1-$x$ Ni $x$ ) 2 As 2 single crystals was synthesized, allowing a comprehensive phase diagram with respect to field, temperature, and chemical substitution to be established. Our neutron diffraction experiments revealed a helimagnetic order with magnetic moments ferromagnetically aligned in the ab plane and a helimagnetic wave vector of $q$= (0,0,0.56) for $x$= 0.1 . Finally, the combination of neutron diffraction and angle-resolved photoemission spectroscopy measurements shows that the tuning of a flat band with $d_{x^2-y^2}$ orbital character drives the helimagnetism and indicates the possibility of a quantum order-by-disorder mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Coupled Chemical and Mechanical Control of Phase Stability in Lanthanide-Substituted BiVO 4

Doping is widely used to enhance the photoelectrochemical performance of BiVO 4 , yet solubility limits and polymorphic stability constrain compositional tuning. Here, in this study, the role of trivalent cation substitution (Ln = La, Nd, Dy, Ho, Y) on pressure-induced phase transformations in Bi 1–x Ln x VO 4 (x ≤ 0.5) is described. Powder X-ray and neutron diffraction reveal that increasing Ln content stabilizes the tetragonal zircon-type polymorph under ambient conditions, while applied pressures of up to ∼5 GPa promote conversion to the monoclinic fergusonite-type polymorph. In-situ neutron diffraction on Bi 0.8 La 0.2 VO 4 shows a reversible monoclinic to tetragonal transition near 2–3 GPa with a bulk modulus of 147 GPa. The extent of conversion depends strongly on dopant identity, concentration, and synthetic route, with mixed-phase solid-state samples converting more efficiently than phase-pure coprecipitated materials. These results demonstrate pressure as a viable pathway to access metastable, doped BiVO 4 compositions beyond conventional solubility limits.

Sypkes, Kathryn I. [University of Sydney, NSW (Aus↗
DOE OSTI2018

RHEGAL: Resistive heating gas enclosure loadframe for in situ neutron scattering

In situ neutron scattering is a powerful tool to reveal materials atomic structural response such as phase transformation, lattice straining, and texture under external stimuli. The advent of a high flux neutron source such as the Spallation Neutron Source (SNS) allows fast measurement in even non-equilibrium conditions, i.e., phase transformation in steels. However, the commercial fast heating apparatus such as commercial physical simulation equipment is not designed for in situ neutron scattering, which limits its application to in situ materials research by using neutrons. Here we present a resistive heating gas enclosure loadframe (RHEGAL) for non-equilibrium phase transformation studies by using in situ neutron scattering, which takes the advantage of high flux neutron sources like SNS. RHEGAL enables fast resistive heating of metal samples to 1200 °C at a rate up to 60 °C/s in an inert atmosphere. It provides both horizontal and vertical positions for scattering optimization. The mechanical loading capability also allows in situ high temperature tension above the oxidation temperature limit. The optimized translucent neutron scattering window by silicon allows both reflection and transmission measurements, making this equipment applicable for neutron diffraction, small angle scattering, and imaging. Furthermore, to demonstrate the fast heating capability, the phase transformations of an example of advanced high strength steel heated at 3 °C/s and 30 °C/s were measured with the VULCAN engineering diffractometer, and the different phase transformation kinetics by neutron diffraction were presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Magnetic ordering suppressed phase transformation of a TRIP-HEA during thermal cycling

Transformation-induced plasticity (TRIP) high-entropy alloys (HEAs) have drawn great attention as they present excellent mechanical properties, and their phase stability is critical for the underlying deformation mechanisms and the application temperature range. In this study, the kinetic phase transformation behavior of a dual-phase TRIP-HEA Fe 50 Mn 30 Co 10 Cr 10 (at. %) was probed by in situ neutron diffraction during thermal cycling between 293 and 425 K. Continuous austenitic and martensitic transformation were visualized through the evolution of hexagonal close-packed phase fraction during thermal cycling. Specifically, thanks to the magnetic sensitivity of neutron diffraction, it was found that the martensitic transformation under cooling became suppressed when the antiferromagnetic ordering started at ~326 K. This temperature was further confirmed as the Néel temperature by magnetization measurements. In this work, thermodynamic calculations revealed that the suppression effect on martensitic transformation is attributed to the consumption of the chemical driving force by the magnetic ordering. The magnetic ordering at such relatively high temperature is associated with the high Mn content. These findings shed light on a potential strategy to achieve better mechanical properties of Mn-containing alloys by manipulating the magnetic property through tuning the Mn content.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Design of CO 2 Selective Type 3 Porous Liquids Through Porous Host Morphology

Direct air capture (DAC) of CO 2 is a negative emission technology under development to limit the impacts of climate change. The dilute concentration of CO 2 in the atmosphere (~400 ppm) requires new materials for carbon capture with increased CO 2 selectivity that is not met with current carbon capture materials. Porous liquids (PLs) are an emerging candidate for carbon capture and consists of a combination of solvents and porous hosts that creates a liquid with permanent porosity. The fundamental mechanisms of carbon capture in a PL are relatively unknown. To uncover these mechanisms, PLs were synthesized consisting of three different zeolitic-imidazolate framework (ZIF-8, ZIF-67, or ZIF-69) porous host in a water/glycol/2-methylimidazole solvent. The most stable composition was based on ZIF-8 and exhibited carbon capture following exposure to CO 2 . Density functional theory identified a three-step carbon capture mechanism based on (i) reaction of OH- with ethylene glycol in the solution followed by (ii) formation of 2-hydroxyethyl carbonate, which (iii) further react with OH- to form a carbonate species. This mechanism was validated with experimental nuclear magnetic resonance spectroscopy (NMR) to identify the dissolved carbonate phases and the decrease in the pH during CO 2 exposure. Deuterated samples of the ZIF-8 PLs were synthesized and analyzed via neutron diffraction at the Spallation Neutron Sources at Oak Ridge National Laboratory. Results identified differences in diffraction for PLs pre- and post-CO 2 exposure that will be combined with ab initio molecular dynamics data of the same PL composition to identify how the presence of a solvent-porous host interfaces results in carbon capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Antiferromagnetic order and its interplay with superconductivity in CaK(Fe$_{1-x}$Mn$_x$) 4 As 4

The magnetic order for several compositions of CaK(Fe$_{1-x}$Mn$_x$) 4 As 4 has been studied by nuclear magnetic resonance (NMR), Mössbauer spectroscopy, and neutron diffraction. Our observations for the Mn-doped 1144 compound are consistent with the hedgehog spin vortex crystal (hSVC) order which has previously been found for Ni-doped CaKFe 4 As 4 . The hSVC state is characterized by the stripe-type propagation vectors $(\pi\,0)$ and $(0\,\pi)$ just as in the doped 122 compounds. The hSVC state preserves tetragonal symmetry at the Fe site, and only this SVC motif with simple antiferromagnetic (AFM) stacking along $\ c$ is consistent with all our observations using NMR Mössbauer spectroscopy, and neutron diffraction. We find that the hSVC state in the Mn-doped 1144 compound coexists with superconductivity (SC), and by combining the neutron scattering and Mössbauer spectroscopy data we can infer a quantum phase transition, hidden under the superconducting dome, associated with the suppression of the AFM transition temperature ($T_N$) to zero for $x$ ≈ 0.01. In addition, unlike several 122 compounds and Ni-doped 1144, the ordered magnetic moment is not observed to decrease at temperatures below the superconducting transition temperature ($T_c$).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Boron coordination change in barium borate melts and glasses and its contribution to configurational heat capacity, entropy, and fragility

High-energy x-ray diffraction from molten and glassy BaB 2 O 4 and BaB 4 O 7 has been performed using aerodynamic levitation and laser heating over a wide range of temperatures. Remarkably, even in the presence of a heavy metal modifier dominating x-ray scattering, it was possible to extract accurate values for the tetrahedral, sp 3 , boron fraction, N 4 , which declines with increasing temperature, using bond valence-based mapping from the measured mean B–O bond lengths while accounting for vibrational thermal expansion. These are used within a boron-coordination-change model to extract enthalpies, ΔH, and entropies, ΔS, of isomerization between sp 2 and sp 3 boron. The results for BaB 4 O 7 , ΔH = 22(3) kJ mol -1 boron, ΔS = 19(2) J mol -1 boron K -1 , agree quantitatively with those found previously for Na 2 B 4 O 7 . Analytical expressions for N 4 (J, T) and associated configurational heat capacity, $C_{P}^{conf}$(J, T), and entropy, S conf (J, T), contributions are extended to cover a wide composition range 0 ≤ J = BaO/B 2 O 3 ≤ 3 using a model for ΔH(J) and ΔS(J) derived empirically for lithium borates. Maxima in the $C_{P}^{conf}$(J, T g ) and fragility index contributions are thereby predicted for J ≲ 1, higher than the maximum observed and predicted in N 4 (J, T g ) at J ≃ 0.6. We discuss the utility of the boron-coordination-change isomerization model in the context of borate liquids containing other modifiers and the prospect of neutron diffraction to aid in empirical determinations of modifier-dependent effects, illustrated by new neutron diffraction data on Ba 11 B 4 O 7 glass, its well-known α-polymorph, and lesser-known δ-phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Mechanical Response of Additively Manufactured Stainless Steel 304L Across a Wide Range of Loading Conditions

The mechanical response of additively manufactured (AM) stainless steel 304L has been investigated across a broad range of loading conditions, covering 11 decades of strain rate, and compared with the behaviors of traditional ingot-derived (wrought) material. In general, the AM material exhibits a greater strength and reduced ductility compared with the baseline wrought form. These differences are consistently found from quasi-static and high strain rate tests. A detailed investigation of the microstructure, the defect structure, the phase, and the composition of both forms reveals differences that may contribute to the differing mechanical behaviors. Compared with the baseline wrought material, dense AM stainless steel 304L has a more complex grain structure with substantial sub-structure, a fine dispersion of ferrite, increased dislocation density, oxide dispersions and larger amounts of nitrogen. In-situ neutron diffraction studies conducted during quasi-static loading suggest that the increased strength of AM material is due to its initially greater dislocation density. The flow strength of both forms is correlated with dislocation density through a square root dependence akin to a Taylor-like relationship. Neutron diffraction measurements of lattice strains also correlate with a crystal plasticity finite element simulations of the tensile test. Other simulations predict a significant degree of elastic and plastic anisotropy due to crystallographic texture. Hopkinson tests at higher strain rates $\dot{ε}$ = 500 and 2500 s -1 ) also show a greater strength for AM stainless steel 304L; although, the differences compared with wrought are reduced at higher strain rates. Gas gun impact tests, including reverse ballistic, forward ballistic and spall tests, consistently reveal a larger dynamic strength in the AM material. The Hugoniot Elastic Limit (HEL) of AM SS 304L exceeds that of wrought material although considerable variability is observed with the AM material. Forward ballistic testing demonstrates spall strengths of AM material (3.27 -- 3.91 GPa) that exceed that of the wrought material (2.63 -- 2.88 GPa). The Hugoniot equation-of-state for AM samples matches archived data for this metal alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Magnetization reversal driven by electron localization-delocalization crossover in the inverse spinel Co 2 VO 4

Neutron diffraction, magnetization, and muon spin relaxation measurements, supplemented by density functional theory (DFT) calculations are employed to unravel temperature-driven magnetization reversal in inverse spinel Co 2 VO 4 . All measurements show a second-order magnetic phase transition at T C = 168 K to a collinear ferrimagnetic phase. Neutron diffraction measurements reveal two antiparallel ferromagnetic (FM) sublattices, belonging to magnetic ions on two distinct crystal lattice sites, where the relative balance between the two sublattices determine the net FM moment in the unit cell. As the evolution of the ordered moment with temperature differs between the two sublattices, the net magnetic moment reaches a maximum at T NC = 138 K and reverses its sign at T MR = 65 K. The DFT results suggest that the underlying microscopic mechanism for the reversal is a delocalization of the unfilled 3d -shell electrons on one sublattice just below T C , followed by a gradual localization as the temperature is lowered. Furthermore, this delocalized-localized crossover is supported by muon spectroscopy results, as strong T 1 relaxation observed below T C indicates fluctuating internal fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Helical magnetism in Sr-doped CaM n 7 O 12 films

Noncollinear magnetism can play an important role in multiferroic materials but is relatively understudied in oxide heterostructures compared to their bulk counterparts. Using variable temperature magnetometry and neutron diffraction, we demonstrate the presence of helical magnetic ordering in CaMn 7 O 12 and Ca 1-x Sr x Mn 7 O 12 (for x up to 0.51) thin films. Consistent with bulk Ca 1-x Sr x Mn 7 O 12 , the net magnetization increases with Sr doping. Neutron diffraction confirms that the helical magnetic structure remains incommensurate at all values of x, while the fundamental magnetic wavevector increases upon Sr substitution. Lastly, this result demonstrates a chemical-based approach for tuning helical magnetism in quadruple perovskite films and enables future studies of strain and interfacial effects on helimagnetism in oxide heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Magnetic order in the van der Waals magnet VCl 3

Here, we investigated the structural and magnetic properties of single-crystalline VCl 3 , a newly synthesized member of the vanadium trihalide family. High-quality single crystals were grown by the chemical vapor transport method, and their behavior was characterized using neutron diffraction and thermodynamic measurements. We show that VCl 3 crystallizes in the BiI 3 -type structure at room temperature and undergoes a structural phase transition at 𝑇 𝑆 = 103.7⁢(5)⁢K that lowers the lattice symmetry, followed by a zigzag antiferromagnetic order with a propagation vector 𝑘 = (0,0.5,1) below 𝑇 𝑁 = 21.8⁢(1)⁢K. Neutron diffraction experiments indicate that the ordered moments are canted by approximately 21° away from the 𝑐 axis toward the 𝑎 axis, yielding a total moment of approximately 1.09⁢(2) ⁢𝜇 B /V 3+ . Field-dependent magnetization along the 𝑐 axis exhibits a half magnetization plateau, indicative of a field-stabilized fractional state. These results establish VCl 3 as a new platform for exploring structural transitions, anisotropic magnetism, and field-induced phases in vanadium-based honeycomb magnets.

Kao, Zeyu [Fudan Univ., Shanghai (China)]↗
DOE OSTI2025

d -Electron Heavy Fermion Behavior in a Near-Room-Temperature Polar Metallic Ferrimagnet: A Case of Mn 5 SiC

Polycrystalline Mn 5 SiC was synthesized by using a high-temperature solid-state method. Mn 5 SiC adopts a polar space group (Cmc2 1 ) with six crystallographic Mn sites confirmed by X-ray and neutron diffraction, transmission electron microscopy, and second harmonic generation experiments. The complex crystal structure features edge-sharing trigonal prisms and icosahedra, as well as face/edge-sharing pentagonal prisms. Magnetic measurements indicate ferrimagnetic ordering with a transition temperature of 284 K. The ferrimagnetic structure (magnetic space group Cm’c’2 1 ) was further identified by powder neutron diffraction, where collinear Mn spins align along the crystallographic c-axis. The refined magnetic moment for each crystallographic Mn site at 4 K is 1.8(2), −2.42(9), −1.72(8), 0.51(6), 0.50(4), and 1.7(2) μ B . Density functional theory calculations confirm both the metallic behavior and the ferrimagnetic structure observed experimentally and further provide insight into the observed Mn moment dependence across crystallographic sites. The resistivity and specific heat measurements and density functional theory calculations reveal a substantially large Kadowaki–Woods ratio of 5 × 10 –5 μΩ·cm/(mJ/mol) 2 and a many-body renormalization factor of 5.5, indicating the unusual heavy Fermion behavior in such an itinerant magnetic metal.

Messegee, Zachary T. [George Mason University, Fai↗
DOE OSTI2019

Magnetic-field effects on the fragile antiferromagnetism in YbBiPt

We introduce neutron-diffraction data for the cubic-heavy-fermion YbBiPt that show broad magnetic diffraction peaks due to the fragile short-range antiferromagnetic (AFM) order persist under an applied magnetic-field H . Our results for H ⊥ [$\overline{1}10$] and a temperature of T = 0.14 (1) K reflect that the ($\frac{1}{2}$, $\frac{1}{2}$, $\frac{3}{2}$) magnetic diffraction peak can be described by the same two-peak line shape found for μ 0 H = 0 T below the Néel temperature of T N = 0.4 K . Both components of the peak exist for μ 0 H ≲ 1.4 T , which is well past the AFM phase boundary determined from our new resistivity data. Using neutron-diffraction data taken at T = 0.13(2) K for H ∥ [001] or [110] , we show that domains of short-range AFM order change size throughout the previously determined AFM and non-Fermi liquid regions of the phase diagram, and that the appearance of a magnetic diffraction peak at ($\frac{1}{2}$, $\frac{1}{2}$, $\frac{1}{2}$) at μ 0 H ≈ 0.4 T signals canting of the ordered magnetic moment away from [111] . The continued broadness of the magnetic diffraction peaks under a magnetic field and their persistence across the AFM phase boundary established by detailed transport and thermodynamic experiments present an interesting quandary concerning the nature of YbBiPt's electronic ground state.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic and electronic structures of antiferromagnetic topological material candidate EuMg 2 Bi 2

In this work, EuMg 2 Bi 2 has been investigated to understand the electronic and magnetic behaviors as an antiferromagnetic (AFM) topological semimetal candidate. High-quality single crystals of EuMg 2 Bi 2 were grown via a Bi flux and, subsequently, characterized to be consistent with the previously reported bulk magnetic and resistivity properties. A ferromagnetic interaction is indicated by the positive Curie–Weiss temperature obtained through fitting the bulk magnetic susceptibility data. The bulk resistivity measurements reveal an interesting electronic behavior that is potentially influenced by a competing antiferromagnetic and ferromagnetic interaction in and out of the ab plane. From the resulting refinement of the neutron diffraction data, EuMg 2 Bi 2 was found to exhibit an A-type magnetic structure with Eu 2+ moments ferromagnetically aligned in the plane and antiferromagnetically stacked between neighbor ferromagnetic Eu layers. The power law fitting magnetic ordering parameter below TN~8 K agrees with the 2D Heisenberg model, indicating a weak interlayer antiferromagnetic interaction. Considering the magnetic structure determined by neutron diffraction, the surface state calculation suggests that EuMg 2 Bi 2 is an AFM topological insulator candidate. Linearly dispersed Dirac surface states were also observed in our angle-resolved photoemission spectroscopy measurements, consistent with the calculation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Complex magnetic order in the decorated spin-chain system Rb 2 Mn 3 ( MoO 4 ) 3 ( OH ) 2

The macroscopic magnetic properties and microscopic magnetic structure of Rb 2 Mn 3 (MoO 4 ) 3 (OH) 2 (space group Pn ma) are investigated by magnetization, heat capacity, and single-crystal neutron diffraction measurements. The compound's crystal structure contains bond-alternating [Mn 3 O 11 ] ∞ chains along the b axis, formed by isosceles triangles of Mn ions occupying two crystallographically nonequivalent sites (the Mn1 site on the base and Mn2 site on the vertex). These chains are only weakly linked to each other by nonmagnetic oxyanions. Both superconducting quantum interference device magnetometry and neutron diffraction experiments show two successive magnetic transitions as a function of temperature. On cooling, it transitions from a paramagnetic phase into an incommensurate phase below 4.5 K with a magnetic wave vector near k 1 = ( 0 , 0.46 , 0 ). An additional commensurate antiferromagnetically ordered component arises with k 2 = ( 0, 0, 0), forming a complex magnetic structure below 3.5 K with two different propagation vectors of different stars. On further cooling, the incommensurate wave vector undergoes a lock-in transition below 2.3 K. The experimental results suggest that the magnetic superspace group is Pnma. 1' (0b0) s0ss for the single- k incommensurate phase and is Pn' m a ( 0 b 0 ) 00 s for the two- k magnetic phase. We propose a simplified magnetic structure model taking into account the major ordered contributions, where the commensurate k 2 defines the ordering of the c-axis component of the Mn1 magnetic moment, while the incommensurate k 1 describes the ordering of the ab -plane components of both Mn1 and Mn2 moments into elliptical cycloids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

High-field spin-flop state in green dioptase

The high-field magnetic properties and magnetic order of the gem mineral green dioptase Cu 6 [Si 6 O 18 ] .6 H 2 O have been studied by means of single-crystal neutron diffraction in magnetic fields up to 21 T and magnetization measurements up to 30 T. In zero field, the Cu 2+ moments in the antiferromagnetic chains are oriented along the c axis with a small off-axis tilt. For a field applied parallel to the c axis, the magnetization shows a spin-flop-like transition at B*=12.2 T at 1.5 K. Neutron diffraction experiments show a smooth behavior in the intensities of the magnetic reflections without any change in the periodicity of the magnetic structure. Bulk and microscopic observations are well described by a model of ferromagnetically coupled antiferromagnetic X X Z spin-$\frac{1}{2}$ chains, taking into account a change of the local easy-axis direction. We demonstrate that the magnetic structure evolves smoothly from a deformed Néel state at low fields to a deformed spin-flop state in a high field via a strong crossover around B*. The results are generalized for different values of interchain coupling and spin anisotropy.

36 MATERIALS SCIENCE↗