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At least 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Tuning the interlayer coupling in La 0.7 Sr 0.3 Mn 0.95 Ru 0.05 O 3 / LaNiO 3 multilayers with perpendicular magnetic anisotropy

In ferromagnetic oxide epitaxial multilayers, magnetic properties and interlayer coupling are determined by a variety of factors. Beyond the contribution of interlayer exchange coupling, strain and interfacial effects, such as structural reconstructions or charge transfer, play significant roles, resulting in complex magnetic behavior. In this study, the interlayer coupling of ferromagnetic La 0.7 ⁢Sr 0.3⁢ Mn 0.95 ⁢Ru 0.05 ⁢O 3 (LSMRO) layers (8 nm thick) was investigated, when separated by epitaxial spacers of paramagnetic metallic LaNiO 3 (LNO), in stacks exhibiting perpendicular magnetic anisotropy. By varying the thickness of the spacer, it was found that the coupling between two LSMRO layers changes from antiferromagnetic (with a 4-unit-cell-thick LNO spacer) to ferromagnetic (with a 6-unit-cell-thick LNO spacer). For multilayers comprising five LSMRO layers and a 4-unit-cell-thick LNO spacer, the antiferromagnetic coupling was preserved. However, the effective magnetic anisotropy changed, causing the magnetization to cant more towards the in-plane direction. Further, this behavior was corroborated by X-ray magnetic circular dichroism (XMCD) investigations at the Mn and Ni L 3 edges. The XMCD results indicated that the 4-unit-cell-thick LNO spacer in the multilayer become magnetically ordered, closely following the magnetization of adjacent LSMRO layers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multimodal Approach Reveals the Symmetry-Breaking Pathway to the Broken Helix in EuIn 2 ⁢As 2

Understanding and manipulating emergent phases, which are themes at the forefront of quantum-materials research, rely on identifying their underlying symmetries. This general principle has been particularly prominent in materials with coupled electronic and magnetic degrees of freedom, in which magnetic order influences the electronic band structure and can lead to exotic topological effects. However, identifying symmetry of a magnetically ordered phase can pose a challenge, particularly in the presence of small domains. Here we introduce a multimodal approach for determining magnetic structures, which combines symmetry-sensitive optical probes, scattering, and group-theoretical analysis. We apply it to EuIn 2 ⁢As 2 , a material that has received attention as a candidate axion insulator. While first-principles calculations predict this state on the assumption of a simple collinear antiferromagnetic structure, subsequent neutron-scattering measurements reveal a much more intricate magnetic ground state characterized by two coexisting magnetic wave vectors reached by successive thermal phase transitions. The proposed high- and low-temperature phases are a spin helix and a state with interpenetrating helical and Néel antiferromagnetic order termed a “broken helix,” respectively. Employing a multimodal approach, we identify the magnetic structure associated with these two phases of EuIn 2 ⁢As 2 . We find that the higher-temperature phase is characterized by a variation of the magnetic moment amplitude from layer to layer, with the moment vanishing entirely in every third Eu layer. The lower-temperature structure is similar to the broken helix, with one important difference: Because of local strain, the relative orientation of the magnetic structure and the lattice is not fixed. Consequently, the symmetry required to protect the axion phase is not generically protected in EuIn 2 ⁢As 2 , but we show that it can be restored if the magnetic structure is tuned with uniaxial strain. Finally, we present a spin Hamiltonian that identifies the spin interactions that account for the complex magnetic order in EuIn 2 ⁢As 2 . Our work highlights the importance of a multimodal approach in determining the symmetry of complex order parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

X-ray magnetic diffraction under high pressure

Advances in both non-resonant and resonant X-ray magnetic diffraction since the 1980s have provided researchers with a powerful tool for exploring the spin, orbital and ion degrees of freedom in magnetic solids, as well as parsing their interplay. Here, we discuss key issues for performing X-ray magnetic diffraction on single-crystal samples under high pressure (above 40 GPa) and at cryogenic temperatures (4 K). We present case studies of both non-resonant and resonant X-ray magnetic diffraction under pressure for a spin-flip transition in an incommensurate spin-density-wave material and a continuous quantum phase transition of a commensurate all-in–all-out antiferromagnet. Both cases use diamond-anvil-cell technologies at third-generation synchrotron radiation sources. In addition to the exploration of the athermal emergence and evolution of antiferromagnetism discussed here, these techniques can be applied to the study of the pressure evolution of weak charge order such as charge-density waves, antiferro-type orbital order, the charge anisotropic tensor susceptibility and charge superlattices associated with either primary spin order or softened phonons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

The first layer potassium–bismuth-nickel oxophosphate KBi{sub 4}Ni{sub 2}(PO{sub 4}){sub 3}O{sub 4}: Synthesis, crystal structure, and expected magnetic properties

The new potassium–bismuth–nickel oxophosphate obtained by hydrothermal synthesis in the Bi(OH){sub 3}–NiCO{sub 3}–K{sub 2}CO{sub 3}–K{sub 3}PO{sub 4} system is studied by X-ray diffraction, IR spectroscopy, and Raman spectroscopy. Parameters of the orthorhombic cell are as follows: a = 13.632(1) Å, b = 19.610(2) Å, and c = 5.4377(3) Å; V = 1452.64(2) Å{sup 3}; and space group Pnma. The structure is solved and refined to the final discrepancy factor R{sub 1} = 5.76% in the anisotropic approximation of atomic displacements using 3606 reflections with I > 2σ(I). The crystal-chemical formula (Z = 4) is KBi{sub 4}{Ni_2O_4(PO_4)_3}, where the composition of the layer nickel–phosphate polyanion is enclosed in braces. Theoretical calculations show that all exchange spin interactions between Ni{sup 2+} ions are antiferromagnetic and very weak (J < 0.1 cm{sup –1}) because of the polyatomic character of bridging Ni–O–P–O–Ni and Ni–O–Bi–O–Ni groups. Thus, this compound is expected to be paramagnetic with very weak antiferromagnetic exchange interactions and appreciable energy of zero-field splitting of the spin levels of Ni{sup 2+} ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Magnetic properties of manganites doped with gallium, iron, and chromium ions

The magnetization and the crystal structure of the La{sub 0.7}Sr{sub 0.3}Mn{sub 1−x}M{sub x}O{sub 3} (M = Ga, Fe, Cr; x ≤ 0.3) systems are studied. The substitution of gallium and chromium is shown to cause phase separation into antiferromagnetic and ferromagnetic phases, whereas the substitution of iron for manganese stabilizes a spinglass state. The ferromagnetic phase in the chromium-substituted compositions is much more stable than that in the case of substitution by iron ions or diamagnetic gallium ions. The magnetic properties are explained in terms of the model of superexchange interactions and the localization of most e{sub g} electrons of manganese. The stabilization of ferromagnetism in the chromium-substituted compositions can be caused by the fact that the positive and negative contributions to the superexchange interaction between Mn{sup 3+} and Cr{sup 3+} ions are close to each other but the antiferromagnetic part of the exchange is predominant. Moreover, some chromium ions are in the tetravalent state, which maintains the optimum doping conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

μSR study of Eu{sub 0.8}Ce{sub 0.2}Mn{sub 2}O{sub 5} and EuMn{sub 2}O{sub 5} multiferroics

A comparative μSR study of ceramic samples of the EuMn{sub 2}O{sub 5} and Eu{sub 0.8}Ce{sub 0.2}Mn{sub 2}O{sub 5} multiferroics is performed in the temperature range from 15 to 300 K. It is found that the Ce doping of the EuMn{sub 2}O{sub 5} sample slightly reduces the temperature of the magnetic phase transition from T{sub N} = 45 K for the EuMn{sub 2}O{sub 5} sample to T{sub N} = 42.5 K for the Eu{sub 0.8}Ce{sub 0.2}Mn{sub 2}O{sub 5} sample. Below the temperature T{sub N} for both samples, there are two types of localization of a thermalized muon with different temperature dependences of the precession frequency of the magnetic moment of the muon in an internal magnetic field. The higher frequency in both samples refers to the initial antiferromagnetic matrix. The behavior of this frequency in Eu{sub 0.8}Ce{sub 0.2}Mn{sub 2}O{sub 5} follows the Curie–Weiss law with the exponent β = 0.29 ± 0.02, which differs from the value β = 0.39 standard for 3D Heisenberg magnetics and is observed in EuMn{sub 2}O{sub 5}, because of the strong frustration of the doped sample. The temperature-independent low frequency is due to the presence of Mn{sup 3+}–Mn{sup 4+} ferromagnetic pairs located along the b axis of the antiferromagnetic matrix and in the regions of phase separation, which contain such ion pairs and e{sub g} electrons recharging them. In both samples, polarization losses are the same (about 20%) and are associated with the formation of Mn{sup 4+}–Mn{sup 4+} + Mu complexes near Mn{sup 3+}–Mn{sup 4+} ferromagnetic pairs. In the temperature interval from 25 to 45 K, the separation of the Eu{sub 0.8}Ce{sub 0.2}Mn{sub 2}O{sub 5} structure into two fractions where the relaxation rates of polarization of muons differ by an order of magnitude is revealed. This effect is due to a change in the state of regions of phase separation (1D superlattices) at the indicated temperatures. Such effect in EuMn{sub 2}O{sub 5} is significantly weaker.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effect of Cr Spacer on Structural and Magnetic Properties of Fe/Gd Multilayers

Here, we analyze the role of a thin Cr spacer between Fe and Gd layers on the structure and magnetic properties of a [Fe(35 Å)/Cr(t Cr )/Gd(50 Å)/Cr(t Cr )] 12 superlattice. Samples without the Cr spacer (t Cr = 0) and with a thin spacer (t Cr = 4 Å) are investigated using X-ray diffraction, polarized neutron and resonance X-ray magnetic reflectometry, static magnetometry, magneto-optical Kerr effect, and ferromagnetic resonance techniques. Magnetic properties are studied experimentally in a wide temperature range 4–300 K and analyzed theoretically using numerical simulation on the basis of the mean-field model. We show that a reasonable agreement with the experimental data can be obtained considering temperature dependence of the effective field parameter in gadolinium layers. In conclusion, the analysis of the experimental data shows that besides a strong reduction of the antiferromagnetic coupling between Fe and Gd, the introduction of Cr spacers into Fe/Gd superlattice leads to modification of both structural and magnetic characteristics of the ferromagnetic layers.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Low-Temperature Magnetization Switching of Bilayer FeNi/FeMn Films

A change in the kinetics of magnetization reversal of a bilayer ferromagnet–antiferromagnet film during a decrease in the temperature is experimentally detected. The motion of a zigzag domain wall is typical of high-temperature conditions, and the system undergoes magnetization reversal by irregular rotation at low temperatures. This phenomenon is found to occur only in a coupled system of layers with exchange anisotropy: it is absent when the antiferromagnetic layer is removed. The change in the character of magnetization reversal at low temperatures is related to the appearance of specific pinning of domain walls, which is caused by interface regions with a varying chirality of an interlayer exchange spring and a perpendicular magnetic anisotropy at interface steps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Magnetic structure of TlFeS{sup 2} and TlFeSe{sup 2} chalcogenides

The crystal and magnetic structures of TlFeS{sup 2} and TlFeSe{sup 2} chalcogenides are studied by neutron diffraction in the temperature range 10–300 K. The investigated compounds feature monoclinic crystal symmetry with the C2/m space group. Antiferromagnetic ordering occurs in TlFeS{sup 2} and TlFeSe{sup 2} at the Néel temperature T{sup N} = 210(5) and 295(5) K, respectively. The temperature dependences of magnetic moments, Fe–Fe bond lengths, and unit-cell volume are established. The coefficients of thermal expansion for the paramagnetic and antiferromagnetic phases are calculated.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of a Second-Order Phase Transition on the Electrical Conductivity of Metal/Semiconductor Structures

The properties of the Cr–p-Si potential barrier near the temperature of the antiferromagnetic–paramagnetic phase transition in chromium are investigated. A significant change in the potential barrier and an anomalous increase in the conductivity in the Cr–p-Si–Au structure are observed near the temperature of the second-order antiferromagnetic–paramagnetic phase transition in chromium. It is established that current fluctuations in the structure are enhanced when approaching the phase-transition point. The experimental results are interpreted based on the assumption that the observed change in the electron-transport properties of the Cr–Si interface is due to a shift of the Fermi quasi-level in chromium as a result of the second-order phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Inhomogeneous Magnetic State of Ce{sub 2}Fe{sub 17} Evidenced by Mössbauer Spectroscopy

A comparative analysis of the magnetic properties and Mössbauer spectra of two Ce{sub 2}Fe{sub 17} samples prepared by different methods and demonstrating different magnetic behavior is carried out. A model for processing the spectra is proposed, which gives a good description of the Mössbauer spectra of samples in different magnetic states by a superposition of eight subspectra. It is shown that in the samples in the ferromagnetic state there are regions with antiferromagnetic ordering at the local level. The relative fractions of iron atoms in these regions differs for different samples and increases when approaching the temperature of the transition from the ferromagnetic to the antiferromagnetic state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetic Phase Diagrams of R{sub 1–x}Sr{sub x}(Mn{sub 1–x/2}Sb{sub x/2})O{sub 3} (R = La, Pr, Nd, Sm, Eu) with Trivalent Manganese Ions

The results of neutron-diffraction, magnetic, and magnetotransport studies of La{sub 1‒x}Sr{sub x}(Mn{sub 1-x/2}{sup 3+}Sb{sub x/2}{sup 5+})O{sub 3} (x ≤ 0.7) pervoskites, which contain only Mn{sup 3+} ions, are reported. It is demonstrated that the system undergoes a transition from the antiferromagnetic state to the ferromagnetic one at x ∼ 0.2. Its structure then changes from O′-orthorombic to O-orthorombic, which is attributable to orbital disordering. At x ≥ 0.6, the competition between antiferromagnetic and ferromagnetic interactions and strong diamagnetic dilution trigger the emergence of the cluster spin-glass phase. As the ionic radius of rare-earth ions in R{sub 0.7}Sr{sub 0.3}Mn{sub 0.85}Sb{sub 0.15}O{sub 3} decreases, the ferromagnetic state transforms gradually into spin glass (R = Sm). All ferromagnetic compositions are dielectric in the magnetically ordered phase with strong magnetoresistive effects. It is assumed that ferromagnetism is induced by the strong covalency and orbital disordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Field-Induced Spin-Modulated Transitions in Epitaxial (001) BiFeO{sub 3} Films

Alterations in the ground state of thin (001) films of a BiFeO{sub 3} (BFO)-type multiferroic in a magnetic field are studied theoretically, with changes in the energy of induced anisotropy taken into account. The anisotropy vs. field phase diagrams identifying the stability regions of homogeneous antiferromagnetic states and the regions of emergence of spatially modulated antiferromagnetic states are constructed for three mutually orthogonal orientations of applied magnetic field. We show that, as the magnetic field decreases, the transformation of a homogeneous phase into a spatially modulated state occurs at the instability point of the homogeneous state via gradual emergence of the conical phase that transforms into a planar cycloid with the decreasing magnetic field. A multiferroic film grown on a (001) substrate develops considerable anisotropy of the energy of spatially modulated state, depending on the modulation orientation. Meanwhile, cycloids with different orientations undergo the transitions from incommensurate phase into the homogeneous state differently: either the conical cycloid is formed followed by its collapse into the homogeneous state or an unlimitedly growing domain of the homogeneous phase is formed within the flat cycloid. Examples of field-induced changes in magnetization, with changes in spin states taken into account, are provided. These results are of value in practical applications of multiferroic strain engineering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magnetization and Giant Magnetoresistance of Polycrystalline TbSb at Low Temperatures

Dependences of the magnetization M and the resistance R on the temperature T in the range from 2 to 300 K and on the magnetic field H up to 14 T were investigated in polycrystalline samples of terbium antimonide TbSb. A peculiarity (bending) was observed on the M(H) dependences at each temperature below the transition point of TbSb into the antiferromagnetic phase (T{sub N} = 14.8 K), which is due to a metamagnetic phase transition. Positive giant magnetoresistance was found in TbSb near the antiferromagnetic phase region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Topological Magnets: Functions Based on Berry Phase and Multipoles

Macroscopic responses of magnets are often governed by magnetization and, thus, have been restricted to ferromagnets. However, such responses are strikingly large in the newly developed topological magnets, breaking the conventional scaling with magnetization. Taking the recently discovered antiferromagnetic (AF) Weyl semimetals as a prime example, we highlight the two central ingredients driving the significant macroscopic responses: the Berry curvature enhanced because of nontrivial band topology in momentum space, and the cluster magnetic multipoles in real space. The combination of large Berry curvature and multipoles enables large macroscopic responses such as the anomalous Hall and Nernst effects, the magneto-optical effect, and the novel magnetic spin Hall effect in antiferromagnets with negligible net magnetization, but also allows us to manipulate these effects by electrical means. Furthermore, nodal-point and nodal-line semimetallic states in ferromagnets may provide the strongly enhanced Berry curvature near the Fermi energy, leading to large responses beyond the conventional magnetization scaling. These significant properties and functions of the topological magnets lay the foundation for future technological development such as spintronics and thermoelectric technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Disorder-induced magnetoelastic behaviors of MnTexSbyBi1-x-y alloys

This dataset contains input and output files from density functional theory (DFT) simulations used to study the disorder-induced magnetoelastic behaviors of MnTexSbyBi1-x-y (0 ≤ x + y ≤ 1) alloys and their binary end members MnTe, MnSb, and MnBi. The alloys adopt the hexagonal NiAs-type (nickeline) structure and span ternary (MnTexSb1-x, MnTexBi1-x, MnBixSb1-x), and quaternary compositions across the full MnTe–MnSb–MnBi composition triangle. For each alloy composition, the dataset provides DFT calculations in three magnetic configurations: A-type antiferromagnetic (AFM), C-type AFM, and ferromagnetic (FM). Every magnetic configuration folder contains the fully relaxed crystal structure (CONTCAR), VASP input parameters (INCAR), and the main VASP output file (OUTCAR), from which total electronic energies, Mn magnetic moments, lattice parameters, and percent volume changes between magnetic states are extracted. These data are used to construct compositional phase diagrams, evaluate thermodynamic stability (formability), and map magnetoelastic responses across the alloy space. For A-type AFM and FM configurations, additional data are provided as follows: (i) FORCE_CONSTANTS and thermal_properties.yaml files at the top level of A-type_AFM/ and FM/ folders — present only for compositions marked with an asterisk (*) in Table I of the main text. These are derived from Phonopy finite-displacement calculations on full disordered 128-atom supercells and provide vibrational free energy, entropy (Svib)contribution from explicit disorder calculations. (Table I of the associated main manuscript) (ii) A VCA/ subfolder within A-type_AFM/ and FM/, containing FORCE_CONSTANTS and thermal_properties.yaml from Virtual Crystal Approximation phonon calculations (without spin-orbit coupling). VCA data are available for all compositions and are used to estimate vibrational contributions to the Gibbs free energy across the full composition space. (iii) A SOC/ subfolder containing CONTCAR, INCAR, and OUTCAR from spin-orbit coupling calculations, providing relativistic corrections to electronic energies and lattice parameters (Tables S2–S3 of the SM, and Table I of the main manuscript). (iv) A SOC/VCA/ subfolder containing FORCE_CONSTANTS and thermal_properties.yaml from VCA phonon calculations performed within the SOC framework, combining relativistic and vibrational thermodynamic corrections. The computed properties are used to map the AFM–FM magnetic crossover near MnTe0.75Sb0.25, demonstrate disorder- and spin-induced phonon broadening, identify a semiconductor-to-metal crossover, and quantify the pronounced magnetoelastic volume response near the magnetic phase boundary.

36 MATERIALS SCIENCE↗
DOE OSTI2022

SrNi(VO 4 )(OH): The High-Temperature Hydrothermal Synthesis and Magnetic Properties of an Adelite-Descloizite-Type Structure

Single crystals of a new transition metal adelite-descloizite-type structure were synthesized using a high temperature (580 °C) high-pressure hydrothermal technique. Single crystal X-ray diffraction and energy dispersive X-ray analysis (EDX) were used to investigate the structure and elemental composition, respectively. SrNi(VO 4 )(OH) crystallizes in an acentric orthorhombic crystal system in the space group P2 1 2 1 2 1 (no. 19); Z = 4, a = 5.9952(4) Å, b = 7.5844(4) Å, c = 9.2240(5) Å. The structure is comprised of a Ni–O–V framework where Sr 2+ ions reside inside the channels. Single-crystal magnetic measurements display a significant anisotropy in both temperature- and field-dependent data. The temperature dependent magnetic measurement shows antiferromagnetic behavior at T N ~8 K. Overall, the magnetic properties indicate the presence of competing antiferromagnetic and ferromagnetic interactions of SrNi(VO 4 )(OH).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

What Coexists with the Ferromagnetic Metallic Phase in Manganites?

Colossal magnetoresistance, whereby the application of a magnetic field reduces the resistivity of a manganite by orders of magnitude, is generally believed to occur because of coexisting phases. Development of a complete theory to explain the phenomenon requires that the exact nature of these phases be known. We used resonant elastic soft x-ray scattering to examine the superlattice order that exists in La{sub 0.35}Pr{sub 0.275}Ca{sub 0.375}MnO{sub 3} above and below the Curie temperature. By measuring the resonance profile of the scattered x-rays at different values of q, we disentangle the contributions of orbital order and antiferromagnetism to the scattering signal above the Curie temperature. Below the Curie temperature, we see no signal from orbital order, and only antiferromagnetism coexists with the dominant ferromagnetic metallic phase.

36 MATERIALS SCIENCE↗