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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Magnetostriction-driven ground-state stabilization in 2H perovskites

In this paper, the magnetic ground state of Sr 3 ARuO 6 , with A =(Li,Na), is studied using neutron diffraction, resonant x-ray scattering, and laboratory characterization measurements of high-quality crystals. Combining these results allows us to observe the onset of long-range magnetic order and distinguish the symmetrically allowed magnetic models, identifying in-plane antiferromagnetic moments and a small ferromagnetic component along the c axis. While the existence of magnetic domains masks the particular in-plane direction of the moments, it has been possible to elucidate the ground state using symmetry considerations. We find that due to the lack of local anisotropy, antisymmetric exchange interactions control the magnetic order, first through structural distortions that couple to in-plane antiferromagnetic moments and second through a high-order magnetoelastic coupling that lifts the degeneracy of the in-plane moments. Finally, the symmetry considerations used to rationalize the magnetic ground state are very general and will apply to many systems in this family, such as Ca 3 ARuO 6 , with A = (Li,Na), and Ca 3 LiOsO 6 whose magnetic ground states are still not completely understood.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

B a 2 NiOs O 6 : A Dirac-Mott insulator with ferromagnetism near 100 K

In this study, the ferromagnetic semiconductor Ba 2 NiOsO 6 ( T mag ~ 100 K ) was synthesized at 6 GPa and 1500 °C. It crystallizes into a double perovskite structure [Fm - 3m ; a = 8.0428 ( 1 ) Å], where the Ni 2+ and Os 6+ ions are perfectly ordered at the perovskite B site. We show that the spin-orbit coupling of Os 6+ plays an essential role in opening the charge gap. The magnetic state was investigated by density functional theory calculations and powder neutron diffraction. The latter revealed a collinear ferromagnetic order in a > 21 kOe magnetic field at 5 K. The ferromagnetic gapped state is fundamentally different from that of known dilute magnetic semiconductors such as (Ga,Mn)As and (Cd,Mn)Te ( T mag < 180 K ), the spin-gapless semiconductor Mn 2 CoAl ( T mag ~ 720 K ), and the ferromagnetic insulators EuO ( T mag ~ 70 K ) and Bi 3 Cr 3 O 11 ( T mag ~ 220 K ). It is also qualitatively different from known ferrimagnetic insulators and semiconductors, which are characterized by an antiparallel spin arrangement. Our finding of the ferromagnetic semiconductivity of Ba 2 NiOsO 6 should increase interest in the platinum group oxides, because this alternative class of materials should be useful in the development of spintronic, quantum magnetic, and related devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Competing exchange interactions in multiferroic and ferrimagnetic CaBaCo 4 O 7

Competing exchange interactions can produce complex magnetic states together with spin-induced electric polarizations. With competing interactions on alternating triangular and kagome layers, the swedenborgite CaBaCo 4 O 7 may have one of the largest measured spin-induced polarizations of ~1700 nC/cm 2 below its ferrimagnetic transition temperature at 70 K. Upon rotating our sample about c = [0,0,1] while the magnetic field is fixed along [1,0,0], the threefold splitting of the spin-wave frequencies indicates that our sample is hexagonally twinned. In addition, magnetization measurements then suggest that roughly 20% of the sample is in a domain with the a axis along [1,0,0] and that 80% of the sample is in one of two other domains with the a axis along either [-1/2,√3/2, 0] or [-1/2, -√3/2, 0] . Powder neutron-diffraction data, magnetization measurements, and terahertz (THz) absorption spectroscopy reveal that the complex spin order in each domain can be described as a triangular array of bitetrahedral c-axis chains ferrimagnetically coupled to each other in the ab plane. In conclusion, the electric-field dependence of bonds coupling those chains produces the large spin-induced polarization of CaBaCo 4 O 7 .

36 MATERIALS SCIENCE↗
DOE OSTI2017

Effect of Sr doping on the magnetic exchange interactions in manganites of type L a 1 - x S r x M n y A 1 - y O 3 ( A = Ga , Ti ; 0.1 ≤ y ≤ 1 )

Strontium doping transforms manganites of type La 1 - x Sr x Mn O 3 from an insulating antiferromagnet ( x = 0 ) to a metallic ferromagnet ( x > 0.16 ) due to the induced charge carriers (holes). We employed neutron scattering experiments in order to investigate the effect of Sr doping on a tailor-made compound of composition La 0.7 S r 0.3 M n 0.1 Ti 0.3 G a 0.6 O 3 . By the simultaneous doping with S r 2 + and Ti 4 + ions, the compound remains in the insulating state so that the magnetic interactions for large Sr doping can be studied in the absence of charge carriers. At T C = 215 K , there is a first-order reconstructive phase transition from the trigonal R - 3 c structure to the orthorhombic Pnma structure via an intermediate virtual configuration described by the common monoclinic subgroup P2 1 / c . The magnetic excitations associated with Mn 3 + dimers give evidence for two different nearest-neighbor ferromagnetic exchange interactions, in contrast to the undoped compound LaM n y A 1 - y O 3 where both ferromagnetic and antiferromagnetic interactions are present. Furthemore, the doping-induced changes of the exchange coupling originates from different Mn-O-Mn bond angles determined by neutron diffraction. The large fourth-nearest-neighbor interaction found for metallic manganites is absent in the insulating state. Here, we argue that the Ruderman-Kittel-Kasuya-Yosida interaction reasonably accounts for all the exchange couplings derived from the spin-wave dispersion in metallic manganites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Field-induced metastability of the modulation wave vector in a magnetic soliton lattice

We present magnetic-field-induced metastability of the magnetic soliton lattice in a bilayer ruthenate Ca 3 (Ru 1–x Fe x ) 2 O 7 (x=0.05) through single-crystal neutron diffraction study. We show that the incommensurability of the modulation wave vector at zero field strongly depends on the history of magnetic field at low temperature, and that the equilibrium ground state can be achieved by warming above a characteristic temperature T g ~37K. Lastly, we suggest that such metastability might be associated with the domain wall pinning by the magnetic Fe dopants.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe 3

We have investigated the crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe 3 on single-crystal and polycrystalline materials. Furthermore, the crystal structure contains layers made up of lozenge-shaped Cr 4 tetramers. Electrical resistivity measurements show the crystals to be semiconducting, with a temperature dependence consistent with a band gap of 0.3 eV. The magnetic susceptibility exhibits a broad maximum near 300 K characteristic of low dimensional magnetic systems. Weak anomalies are observed in the susceptibility and heat capacity near 55 K, and single-crystal neutron diffraction reveals the onset of long-range antiferromagnetic order at this temperature. Strongly dispersive spin waves are observed in the ordered state. Significant magnetoelastic coupling is indicated by the anomalous temperature dependence of the lattice parameters and is evident in structural optimization in van der Waals density functional theory calculations for different magnetic configurations. The cleavability of the compound is apparent from its handling and is confirmed by first-principles calculations, which predict a cleavage energy 0.5 J / m 2 , similar to graphite. Based on our results, CrTe 3 is identified as a promising compound for studies of low dimensional magnetism in bulk crystals as well as magnetic order in monolayer materials and van der Waals heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Itinerant G-type antiferromagnetic order in SrCr 2 As 2

Here, neutron-diffraction and magnetic susceptibility studies of polycrystalline SrCr 2 As 2 reveal that this compound is an itinerant G-type antiferromagnet below the Néel temperature T N = 590(5) K with the Cr magnetic moments aligned along the tetragonal c axis. The system remains tetragonal to the lowest measured temperature (~12 K). The lattice parameter ratio c/a and the magnetic moment saturate at about the same temperature below ~200 K, indicating a possible magnetoelastic coupling. The ordered moment μ = 1.9(1)μ B/Cr , measured at T = 12 K, is significantly reduced compared to its localized value (4μ B/Cr ) due to the itinerant character brought about by hybridization between the Cr 3d and As 4p orbitals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Spin-reorientation transitions in the Cairo pentagonal magnet Bi 4 Fe 5 O 13 F

Here, we show that interlayer spins play a dual role in the Cairo pentagonal magnet Bi 4 Fe 5 O 13 F, on one hand mediating the three-dimensional magnetic order, and on the other driving spin-reorientation transitions both within and between the planes. The corresponding sequence of magnetic orders unraveled by neutron diffraction and Mössbauer spectroscopy features two orthogonal magnetic structures described by opposite local vector chiralities, and an intermediate, partly disordered phase with nearly collinear spins. A similar collinear phase has been predicted theoretically to be stabilized by quantum fluctuations, but Bi 4 Fe 5 O 13 F is very far from the relevant parameter regime. While the observed in-plane reorientation cannot be explained by any standard frustration mechanism, our ab initio band-structure calculations reveal strong single-ion anisotropy of the interlayer Fe 3+ spins that turns out to be instrumental in controlling the local vector chirality and the associated interlayer order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Magnetic order, hysteresis, and phase coexistence in magnetoelectric LiCoPO 4

Here, the magnetic phase diagram of magnetoelectric LiCoPO 4 is established using neutron diffraction and magnetometry in fields up to 25.9T applied along the crystallographic b axis. For fields greater than 11.9T, the magnetic unit cell triples in size with propagation vector Q = (0,1/3,0). A magnetized elliptic cycloid is formed with spins in the (b,c) plane and the major axis oriented along b. Such a structure allows for the magnetoelectric effect with an electric polarization along c induced by magnetic fields applied along b. Intriguingly, additional ordering vectors Q ≈ (0,1/4,0) and Q ≈ (0,1/2,0) appear for increasing fields in the hysteresis region below the transition field. Traces of this behavior are also observed in the magnetization. A simple model based on a mean-field approach is proposed to explain these additional ordering vectors. In the field interval 20.5–21.0T, the propagation vector Q = (0,1/3,0) remains but the spins orient differently compared to the cycloid phase. Furthermore, above 21.0T and up until saturation, a commensurate magnetic structure exists with a ferromagnetic component along b and an antiferromagnetic component along

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Structural and magnetic transitions in spinel FeM n 2 O 4 single crystals

Materials that form the spinel structure are known to exhibit geometric frustration, which can lead to magnetic frustration as well. Through magnetization and neutron diffraction measurements, we find that FeMn 2 O 4 undergoes one structural and two magnetic transitions. The structural transition occurs at T s ~595K from cubic at high temperatures to tetragonal at low temperatures. Here, two magnetic transitions are ferrimagnetic at T FI–1 ~373K and T FI–2 ~50K, respectively. Further investigation of the specific heat, thermal conductivity, and Seebeck coefficient confirms both magnetic transitions. Of particular interest is that there is a significant magnetic contribution to the low-temperature specific heat and thermal conductivity, providing a unique system to study heat transport by magnetic excitations.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Reduction of the ordered magnetic moment and its relationship to Kondo coherence in Ce 1-x La x Cu 2 Ge 2

The microscopic details of the suppression of antiferromagnetic order in the Kondo-lattice series Ce 1-x La x Cu 2 Ge 2 due to nonmagnetic dilution by La are revealed through neutron diffraction results for x = 0:20, 0:40, 0:75, and 0:85. Magnetic Bragg peaks are found for 0:20 ≤ x ≤ 0:75, and both the Neel temperature, T N , and the ordered magnetic moment per Ce μ linearly decrease with increasing x. The reduction in μ points to strong hybridization of the increasingly diluted Ce 4f electrons, and we find a remarkable quadratic dependence of μ on the Kondo-coherence temperature. Here, we discuss our results in terms of local-moment- versus itinerant-type magnetism and mean-field theory, and show that Ce 1-x La x Cu 2 Ge 2 provides an exceptional opportunity to quantitatively study the multiple magnetic interactions in a Kondo lattice.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Antiferromagnetic order in CaK ( Fe 1 – x Ni x ) 4 As 4 and its interplay with superconductivity

The magnetic order in CaK(Fe 1–x Ni x ) 4 As 4 (1144) single crystals (x = 0.051 and 0.033) has been studied by neutron diffraction. We observe magnetic Bragg peaks associated with the same propagation vectors as found for the collinear stripe antiferromagnetic (AFM) order in the related BaFe 2 As 2 (122) compound. The AFM state in 1144 preserves tetragonal symmetry and only a commensurate, noncollinear structure with a hedgehog spin-vortex crystal (SVC) arrangement in the Fe plane and simple AFM stacking along the c direction is consistent with our observations. The SVC order is promoted by the reduced symmetry in the FeAs layer in the 1144 structure. The long-range SVC order coexists with superconductivity, however, similar to the doped 122 compounds, the ordered magnetic moment is gradually suppressed with the developing superconducting order parameter. Lastly, this supports the notion that both collinear and noncollinear magnetism and superconductivity are competing for the same electrons coupled by Fermi surface nesting in iron arsenide superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Anisotropic antiferromagnetic order in the spin-orbit coupled trigonal-lattice Ca 2 Sr 2 IrO 6

Here, we used single-crystal x-ray and neutron diffraction to investigate the crystal and magnetic structures of trigonal lattice iridate Ca 2 Sr 2 IrO 6 . The crystal structure is determined to be R ¯3 with two distinct Ir sites. The system exhibits long-range antiferromagnetic order below T N = 13.1 K. The magnetic wave vector is identified as (0,0.5,1) with ferromagnetic coupling along the a axis and antiferromagnetic correlation along the b axis. Spins align dominantly within the basal plane along the [1,2,0] direction and tilt 34° toward the c axis. The ordered moment is 0.66(3) μ B /Ir, larger than other iridates where iridium ions form corner- or edge-sharing IrO 6 octahedral networks. The tilting angle is reduced to ≈19° when a magnetic field of 4.9 T is applied along the c axis. Density functional theory calculations confirm that the experimentally determined magnetic configuration is the most probable ground state with an insulating gap ~0.5 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Dipolar-octupolar Ising antiferromagnetism in Sm 2 Ti 2 O 7 : A moment fragmentation candidate

Over the past two decades, the magnetic ground states of all rare-earth titanate pyrochlores have been extensively studied, with the exception of Sm 2 Ti 2 O 7 . This is, in large part, due to the very high absorption cross section of naturally occurring samarium, which renders neutron scattering infeasible. To combat this, we have grown a large, isotopically enriched single crystal of Sm 2 Ti 2 O 7 . Using inelastic neutron scattering, we determine that the crystal field ground state for Sm3+ is a dipolar-octupolar doublet with Ising anisotropy. Neutron diffraction experiments reveal that Sm 2 Ti 2 O 7 orders into the all-in, all-out magnetic structure with an ordered moment of 0.44(7)μ B below TN=0.35 K, consistent with expectations for antiferromagnetically coupled Ising spins on the pyrochlore lattice. Zero-field muon spin relaxation measurements reveal an absence of spontaneous oscillations and persistent spin fluctuations down to 0.03 K. In conclusion, the combination of the dipolar-octupolar nature of the Sm 3+ moment, the all-in, all-out ordered state, and the low-temperature persistent spin dynamics make this material an intriguing candidate for moment fragmentation physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Thermal evolution of quasi-one-dimensional spin correlations within the anisotropic triangular lattice of α - NaMnO 2

Magnetic order on the spatially anisotropic triangular lattice of α-NaMnO 2 is studied via neutron diffraction measurements. The transition into a commensurate, collinear antiferromagnetic ground state with k=(0.5,0.5,0) was found to occur below T N =22 K. Above this temperature, the transition is preceded by the formation of a coexisting, short-range ordered, incommensurate state below TIC=45 K whose two-dimensional propagation vector evolves toward k=(0.5,0.5) as the temperature approaches T N . At high temperatures (T>T IC ), quasielastic scattering reveals one-dimensional spin correlations along the nearest-neighbor Mn-Mn “chain direction” of the MnO 6 planes. Here, our data are consistent with the predictions of a mean-field model of Ising-like spins on an anisotropic triangular lattice, as well as the predominantly one-dimensional Heisenberg spin Hamiltonian reported for this material.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material BaFe 2 S 3 under pressure

We report the recent discovery of pressure-induced superconductivity in BaFe 2 S 3 and BaFe 2 Se 3 has generated considerable interest in the 123-type iron chalcogenides. The structure of these materials features iron atoms arranged in quasi-one-dimensional ladders with either stripe-type or block-type antiferromagnetism at ambient pressure, constituting a new parent state for iron-based superconductivity in need of detailed study. Here, we report pressure-dependent neutron diffraction and muon spin relaxation/rotation measurements combined with first-principles calculations to investigate the structural, magnetic, and electronic properties of BaFe 2 S 3 under pressure. The experimental results reveal a gradual enhancement of the stripe-type ordering temperature with increasing pressure up to 2.6 GPa and no observable change in the size of the ordered moment. The ab initio calculations suggest that the magnetism is highly sensitive to the Fe-S bond lengths and angles, clarifying discrepancies with previously published results. In contrast to our experimental observations, the calculations predict a reduction of the ordered moment with pressure. In conclusion, we suggest that the robustness of the stripe-type antiferromagnetism is due to strong electron correlations not fully considered in the calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Neutron scattering investigation of rhenium orbital ordering in the 3 d – 5 d double perovskite Ca 2 FeReO 6

Here, we have carried out inelastic neutron scattering experiments to study magnetic excitations in the ordered double perovskite Ca 2 FeReO 6 . We have found a well-defined magnon mode with a bandwidth of ~50 meV below the ferrimagnetic ordering temperature ( T c ~ 520 K), similar to the previously studied Ba 2 FeReO 6 . The spin excitation is gapless for most temperatures within the magnetically ordered phase. However, a spin gap of ~10 meV opens up below ~150 K, which is well below the magnetic ordering temperature but coincides with a previously reported metal-insulator transition and onset of structural distortion. The observed temperature dependence of the spin gap provides strong evidence for ordering of Re orbitals at ~150 K, in accordance with an earlier proposal put forward by K. Oikawa et al. based on neutron diffraction as well as recent theoretical work by Lee and Marianetti. The presence of separate orbital and magnetic ordering in Ca 2 FeReO 6 suggests weak coupling between spin and orbital degrees of freedom and hints at a subdominant role played by spin-orbit coupling in describing its magnetism. In addition, we observed only one well-defined magnon band near the magnetic zone boundary, which is incompatible with simple ferrimagnetic spin waves arising from Fe and Re local moments but suggests a strong damping of the Re magnon mode.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

U 2 Ni 2 Sn and the origin of magnetic anisotropy in uranium compounds

Here, U 2 Ni 2 Sn is a member of a large family of intermetallic compounds with the tetragonal Mo 2 FeB 2 crystal structure. It orders antiferromagnetically at 25 K with propagation vector $q = (0, 0, \frac{1}{2})$. Magnetization, magnetoacoustic, and neutron-diffraction experiments on a single crystal provide evidence that the uranium moments align parallel to the $c$ axis with the anisotropy energy of ≈170 K, indicating that U 2 Ni 2 Sn can be classified as an Ising system. The results are at variance with previous studies on polycrystals, which indicated different magnetic structure, and which were incompatible with the $5f - 5f$ two-ion anisotropy model dominant in most U band systems. High-field magnetization studies exhibit a weak linear response for fields along the basal plane up to the highest field applied (60 T), while the $c$-axis magnetization curve exhibits three metamagnetic transitions at approximately 30, 39, and 50 T. The U magnetic moments of $0.87 μ_B$, the low magnetic entropy, and the enhanced Sommerfeld coefficient $γ$ = 187 mJ/mol f.u.K 2 suggest that U 2 Ni 2 Sn can be classified as an itinerant antiferromagnet with strong electron-electron correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗