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At least 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Characterization of magnetic properties of Sr 2 CuWO 6 and Sr 2 CuMoO 6

In this work we examine the low-temperature magnetic properties of the two double-perovskite compounds Sr2CuWO6 and Sr2CuMoO6 using magnetic susceptibility, muon spin rotation and relaxation, and neutron powder diffraction measurements. Additionally, the most relevant spin exchange interaction constants are derived from ab initio electronic structure calculations, aided by x-ray absorption spectroscopy. The compounds exhibit quasi-two-dimensional magnetic properties, with broad maxima at T-max = 83 and 95 K for Sr2CuWO6 and Sr2CuMoO6, respectively. However, three-dimensional long-range order takes place below T-N = 24(1) and 28(2) K for Sr2CuWO6 and Sr2CuMoO6, respectively. Our results show that the low-dimensional magnetic correlations are mainly due to the significant next-nearest-neighbor interactions in the ab plane of the double-perovskite structure, whereas three-dimensional long-range magnetic order is caused by weaker next-nearest-neighbor interactions along the c axis. Next-nearest-neighbor interactions are also slightly frustrated by weaker nearest-neighbor interactions within the ab plane. Based on these results we predict the low-temperature magnetic structure in these compounds to be type-II antiferromagnetic order of the double-perovskite lattice.

Vasala, Sami↗
DOE OSTI2014

Different response of transport and magnetic properties of BaIrO 3 to chemical and physical pressure

A combination of x-ray absorption, x-ray-diffraction, and transport measurements at high pressure is used to investigate the interplay between the electronic properties of Ir 5d states and lattice degrees of freedom in the weakly ferromagnetic insulator BaIrO3. Although the Ir 5d local magnetic moment is highly stable against lattice compression, remaining nearly unperturbed to at least 30 GPa, the weak ferromagnetism (net ordered moment) is quickly quenched by 4.5 GPa (3% volume reduction). Under chemical pressure, where Sr is substituted for the larger Ba in BaIrO3, the local magnetic moment on Ir remains stable, but the weak ferromagnetism is quenched after only 1.7% volume reduction. The magnetic ordering temperature Tm is also more strongly suppressed by chemical pressure compared to physical pressure. In addition, under ~23-at.% Sr doping, BaIrO3 undergoes a transition to a paramagnetic metallic state. Resistivity measurements indicate that BaIrO3 remains an electrical insulator to at least 9 GPa, a much higher pressure than required to quench the weak ferromagnetism (~4.5 GPa). Such a disparate response of transport and magnetic properties to chemical and physical pressure is likely rooted in the different compression rates of the (a,c) lattice parameters with Sr doping and applied pressure and the effect of related lattice distortions on electronic bandwidth and exchange interactions in this strongly spin-orbit-coupled system.

Laguna-Marco, M. A.↗
DOE OSTI2014

Defect propagation in one-, two-, and three-dimensional compounds doped by magnetic atoms

Inelastic neutron scattering experiments were performed to study manganese(II) dimer excitations in the diluted one-, two-, and three-dimensional compounds CsMn x Mg 1-x Br 3 , K 2 Mn x Zn 1-x F 4 , and KMn x Zn 1-x F 3 (x≤0.10), respectively. The transitions from the ground-state singlet to the excited triplet, split into a doublet and a singlet due to the single-ion anisotropy, exhibit remarkable fine structures. These unusual features are attributed to local structural inhomogeneities induced by the dopant Mn atoms which act like lattice defects. Statistical models support the theoretically predicted decay of atomic displacements according to 1/r 2 , 1/r, and constant (for three-, two-, and one-dimensional compounds, respectively) where r denotes the distance of the displaced atoms from the defect. In conclusion, the observed fine structures allow a direct determination of the local exchange interactions J, and the local intradimer distances R can be derived through the linear law dJ/dR.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Unified molecular field theory for collinear and noncollinear Heisenberg antiferromagnets

In this study, a unified molecular field theory (MFT) is presented that applies to both collinear and planar noncollinear Heisenberg antiferromagnets (AFs) on the same footing. The spins in the system are assumed to be identical and crystallographically equivalent. This formulation allows calculations of the anisotropic magnetic susceptibility χ versus temperature T below the AF ordering temperature T N to be carried out for arbitrary Heisenberg exchange interactions J ij between arbitrary neighbors j of a given spin i without recourse to magnetic sublattices. The Weiss temperature θ p in the Curie-Weiss law is written in terms of the J ij values and T N in terms of the J ij values and an assumed AF structure. Other magnetic and thermal properties are then expressed in terms of quantities easily accessible from experiment as laws of corresponding states for a given spin S. For collinear ordering these properties are the reduced temperature t=T/T N , the ratio f = θ p /T N , and S. For planar noncollinear helical or cycloidal ordering, an additional parameter is the wave vector of the helix or cycloid. The MFT is also applicable to AFs with other AF structures. The MFT predicts that χ(T ≤ T N ) of noncollinear 120° spin structures on triangular lattices is isotropic and independent of S and T and thus clarifies the origin of this universally observed behavior. The high-field magnetization and heat capacity for fields applied perpendicular to the ordering axis (collinear AFs) and ordering plane (planar noncollinear AFs) are also calculated and expressed for both types of AF structures as laws of corresponding states for a given S, and the reduced perpendicular field versus reduced temperature phase diagram is constructed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Anomalous breakdown of Bloch's rule in the Mott-Hubbard insulator MnTe 2

Here, we reinvestigate the pressure dependence of the crystal structure and antiferromagnetic phase transition in MnTe 2 using the rigorous and reliable tool of high-pressure neutron powder diffraction. First-principles density functional theory calculations are carried out in order to gain microscopic insight. The measured N eel temperature of MnTe 2 is found to show unusually large pressure dependence of 12 K GPa –1 . This gives rise to a large violation of Bloch s rule given by α = d log T N /d log V = –10/3 ≈ –3.3, to an value of –6.0 ± 0.1 for MnTe 2 . The ab initio calculation of the electronic structure and the magnetic exchange interactions in MnTe 2 for the measured crystal structures at different pressures indicates the pressure dependence of the Neel temperature α is –5.61, in close agreement with experimental findings. The microscopic origin of this behavior turns out to be dictated by the distance dependence of the cation-anion hopping interaction strength.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Electronic and magnetic properties of electron-doped V 2 O 5 and NaV 2 O 5

Because of its narrow split-off conduction band, doping of V 2 O 5 leads to interesting strongly correlated electrons. We study the effects of doping on V 2 O 5 's electronic and magnetic properties, either by adding electrons compensated by an artificial homogeneous background, or a virtual crystal approximation (VCA), by changing the atomic number Z V , so as to keep charge neutrality, or by explicitly introducing Na as a dopant. The former two are considered as a way to simulate injected charge by gating, the latter occurs in the vanadium bronze NaV 2 O 5 . We also simulate Na 1 - x V 2 O 5 using a virtual crystal approximation by changing the atomic number 10 ≤ Z Na ≤ 11 . The differences in the band structure, which result from how the electrons added to the band are compensated by positive charge in the three models, are compared. The electronic band structures are calculated using the quasiparticle self-consistent Q S G W method including a lattice polarization correction and the local spin density functional method with Hubbard- U corrections (LSDA+ U ). For NaV 2 O 5 , the half-filling leads to a splitting of the up- and down-spin lowest d x y band. The spins are found to prefer an antiferromagnetic ordering along the chain direction. Other spin configurations are shown to have higher energy and the exchange interactions are extracted and compared with literature. The optical conductivities are calculated and compared with experiment. Similar results are found for simply doping the band compensated by a background or virtual crystal approximation. Yet, the position of the occupied bands depends on the method chosen for compensating the charge. The most realistic way to simulate gating in which the compensating charge is kept away from the V 2 O 5 layer is the VCA with varying Z Na . The splitting between the up- and down-spin bands depends on the filling. Furthermore, we find that below a certain concentration of about 0.88 electrons per V, the FM arrangement becomes preferable over the antiferromagnetic one. The magnetic moments then gradually decrease as we lower the filling of the split-off band.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Electronic and crystal structure changes induced by in-plane oxygen vacancies in multiferroic YMnO 3

Here, the widely spread oxygen vacancies (V O ) in multiferroic materials can strongly affect their physical properties. However, their exact influence has rarely been identified in hexagonal manganites. Here, with the combined use of transmission electron microscopy (TEM) and first-principles calculations, we have systematically studied the electronic and crystal structure modifications induced by V O located at the same Mn atomic plane (in-plane V O ). Our TEM experiments reveal that the easily formed in-plane V O not only influence the electronic structure of YMnO 3 but alter the in-plane Wyckoff positions of Mn ions, which may subsequently affect the intraplane and interplane exchange interaction of Mn ions. The ferroelectricity is also impaired due to the introduction of V O . Further calculations confirm these electronic and structural changes and modifications. Our results indicate that the electronic and crystal structure of YMnO 3 can be manipulated by the creation of V O .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Direct imaging of coexisting ordered and frustrated sublattices in artificial ferromagnetic quasicrystals

Here, we have used scanning electron microscopy with polarization analysis and photoemission electron microscopy to image the two-dimensional magnetization of permalloy films patterned into Penrose P2 tilings (P2T). The interplay of exchange interactions in asymmetrically coordinated vertices and short-range dipole interactions among connected film segments stabilize magnetically ordered, spatially distinct sublattices that coexist with frustrated sublattices at room temperature. Numerical simulations that include long-range dipole interactions between sublattices agree with images of as-grown P2T samples and predict a magnetically ordered ground state for a two-dimensional quasicrystal lattice of classical Ising spins.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Spin liquid state in the disordered triangular lattice Sc 2 Ga 2 CuO 7 revealed by NMR

We present microscopic magnetic properties of a two-dimensional triangular lattice Sc 2 Ga 2 CuO 7 , consisting of single and double triangular Cu planes. An antiferromagnetic (AFM) exchange interaction J/k B ≈ 35 K between Cu 2+ (S = 1/2) spins in the triangular biplane is obtained from the analysis of intrinsic magnetic susceptibility data. The intrinsic magnetic susceptibility, extracted from 71 Ga NMR shift data, displays the presence of AFM short range spin correlations and remains finite down to 50 mK, suggesting a nonsinglet ground state. The nuclear spin-lattice relaxation rate (1/T 1 ) reveals a slowing down of Cu 2+ spin fluctuations with decreasing T down to 100 mK. Magnetic specific heat (C m ) and 1/T 1 exhibit power law behavior at low temperatures, implying the gapless nature of the spin excitation spectrum. The absence of long range magnetic ordering down to ~J/700, nonzero spin susceptibility at low T, and the power law behavior of C m and 1/T 1 suggest a gapless quantum spin liquid (QSL) state. Our results demonstrate that persistent spin dynamics induced by frustration maintain a quantum-disordered state at T → 0 in this triangular lattice antiferromagnet. Furthermore, this suggests that the low energy modes are dominated by spinon excitations in the QSL state due to randomness engendered by disorder and frustration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Structural and magnetic properties of the 5d 2 double perovskites Sr 2 B ReO 6 ( B = Y, In)

With this study, we have performed magnetic susceptibility, heat capacity, neutron powder diffraction, and muon spin relaxation experiments to investigate the magnetic ground states of the 5$d^2$ double perovskites Sr$_2$YReO$_6$ and Sr$_2$InReO$_6$. We find that Sr$_2$YReO$_6$ is a spin glass, while Sr$_2$InReO$_6$ hosts a non-magnetic singlet state. By making detailed comparisons with other 5$d^2$ double perovskites, we argue that a delicate interplay between spin-orbit coupling, non-cubic crystal fields, and exchange interactions plays a key role in the great variation of magnetic ground states observed for this family of materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Structural and magnetic characterization of the one-dimensional S = 5/2 antiferromagnetic chain system SrMn(VO 4 )(OH)

The descloizite-type compound, SrMn(VO 4 )(OH), was synthesized as large single crystals (1-2mm) using a high-temperature high-pressure hydrothermal technique. X-ray single crystal structure analysis reveals that the material crystallizes in the acentric orthorhombic space group of P2 1 2 1 2 1 (no. 19), Z = 4. The structure exhibits a one-dimensional feature, with [MnO 4 ] chains propagating along the a-axis which are interconnected by VO 4 tetrahedra. Raman and infrared spectra were obtained to identify the fundamental vanadate and hydroxide vibrational modes. Magnetization data reveal a broad maximum at approximately 80 K, arising from one-dimensional magnetic correlations with intrachain exchange constant of J/k B = 9.97(3) K between nearest Mn neighbors and a canted antiferromagnetic behavior below T N = 30 K. Single crystal neutron diffraction at 4 K yielded a magnetic structure solution in the lower symmetry of the magnetic space group P2 1 with two unique chains displaying antiferromagnetically ordered Mn moments oriented nearly perpendicular to the chain axis. Lastly, the presence of the Dzyaloshinskii Moriya antisymmetric exchange interaction leads to a slight canting of the spins and gives rise to a weak ferromagnetic component along the chain direction.

36 MATERIALS SCIENCE↗
DOE OSTI2016

The prominent role of oxygen in the multiferroicity of DyMnO3 and TbMnO3: a resonant soft x-ray scattering spectroscopy study

Oxygen is known to play an important role in the multiferroicity of rare earth manganites; however, how this role changes with rare earth elements is still not fully understood. To address this question, we have used resonant soft x-ray scattering spectroscopy to study the F-type (0; ; 0) diffraction peak from the antiferromagnetic order in DyMnO 3 and TbMnO 3 . We focus on the measurements at O K-edge of these two manganites, supplemented by the results at Mn L2- and Dy M5-edge of DyMnO 3 . We show that the electronic states of di erent elements are coupled more strongly in DyMnO 3 than in TbMnO 3 , presumably due to the stronger lattice distortion and the tendency to develop E-type antiferromagnetism in the ferroelectric state that promote the orbital hybridization. We also show that the anomaly in the correlation length of (0; ; 0) peak in DyMnO 3 signifies the exchange interaction between Mn and rare earth spins, which is absent in TbMnO 3 . Our findings reveal the prominent role of oxygen orbitals in the multiferroicity of rare earth manganites and the distinct energetics between them.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Temperature dependence of angular momentum transport across interfaces

Angular momentum transport in magnetic multilayered structures plays a central role in spintronic physics and devices. The angular momentum currents or spin currents are carried by either quasiparticles such as electrons and magnons, or by macroscopic order parameters such as local magnetization of ferromagnets. Based on the generic interface exchange interaction, we develop here a microscopic theory that describes interfacial spin conductance for various interfaces among nonmagnetic metals, ferromagnetic insulators, and antiferromagnetic insulators. Spin conductance and its temperature dependence are obtained for different spin batteries including spin pumping, temperature gradient, and spin Hall effect.As an application of our theory,we calculate the spin current in a trilayer made of a ferromagnetic insulator, an antiferromagnetic insulator, and a nonmagnetic heavy metal. The calculated results on the temperature dependence of spin conductance quantitatively agree with the existing experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Strong magnetic correlations to 900 K in single crystals of the trigonal antiferromagnetic insulators SrMn 2 As 2 and CaMn 2 As 2

Crystallographic, electronic transport, thermal, and magnetic properties are reported for SrMn 2 As 2 and CaMn 2 As 2 single crystals grown using Sn flux. Rietveld refinements of powder x-ray diffraction data show that the two compounds are isostructural and crystallize in the trigonal CaAl 2 Si 2 -type structure (space group $P\bar{3}$ m1), in agreement with the literature. Electrical resistivity ρ versus temperature T measurements demonstrate insulating ground states for both compounds with activation energies of 85 meV for SrMn 2 As 2 and 61 meV for CaMn 2 As 2 . In a local-moment picture, the Mn +2 3d 5 ions are expected to have high-spin S=5/2 with spectroscopic splitting factor g≈2. Magnetic susceptibility χ and heat capacity Cp measurements versus T reveal antiferromagnetic (AFM) transitions at T N =120(2) K and 62(3) K for SrMn 2 As 2 and CaMn 2 As 2 , respectively. The anisotropic χ(T≤T N ) data indicate that the hexagonal c axis is the hard axis and hence that the ordered Mn moments are aligned in the ab plane. Finally, the χ(T) data for both compounds and the Cp(T) for SrMn 2 As 2 show strong dynamic short-range AFM correlations from T N up to at least 900 K, likely associated with quasi-two-dimensional connectivity of strong AFM exchange interactions between the Mn spins within the corrugated honeycomb Mn layers parallel to the ab plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Quasi-two-dimensional Bose-Einstein condensation of spin triplets in the dimerized quantum magnet Ba 2 CuSi 2 O 6 Cl 2

We synthesized single crystals of composition Ba 2 CuSi 2 O 6 Cl 2 and investigated their quantum magnetic properties. The crystal structure is closely related to that of the quasi-two-dimensional (2D) dimerized magnet BaCuSi 2 O 6 also known as Han purple. Ba 2 CuSi 2 O 6 Cl 2 has a singlet ground state with an excitation gap of Δ/k B = 20.8 K. The magnetization curves for two different field directions almost perfectly coincide when normalized by the g factor except for a small jump anomaly for a magnetic field perpendicular to the c axis. The magnetization curve with a nonlinear slope above the critical field is in excellent agreement with exact-diagonalization calculations based on a 2D coupled spin-dimer model. Individual exchange constants are also evaluated using density functional theory (DFT). The DFT results demonstrate a 2D exchange network and weak frustration between interdimer exchange interactions, supported by weak spin-lattice coupling implied from our magnetostriction data. Lastly, the magnetic-field-induced spin ordering in Ba 2 CuSi 2 O 6 Cl 2 is described as the quasi-2D Bose-Einstein condensation of triplets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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

Strong anisotropy within a Heisenberg model in the J eff = 1 2 insulating state of Sr 2 Ir 0.8 Ru 0.2 O 4

The dispersive magnetic excitations in Sr 2 IrO 4 have previously been well described within an isospin-1/2 Heisenberg model on a square lattice that revealed parallels with La 2 CuO 4 . In this paper, we investigate the inelastic spectra of Sr 2 Ir 0.8 Ru 0.2 O 4 with resonant inelastic x-ray scattering (RIXS) at the Ir L 3 edge. The results are well described using linear spin-wave theory within a similar Heisenberg model applicable to Sr 2 IrO 4 ; however, the disorder induced by the substitution of 20% Ir 4+ ions for Ru 4+ removes longer range exchange interactions. A large spin gap (40 meV) is measured indicating strong anisotropy from spin-orbit coupling that is manifest due to the altered magnetic structure in Sr 2 Ir 0.8 Ru 0.2 O 4 with c-axis aligned moments compared to the basal plane moments in the parent. Finally, collectively the results indicate the robustness of a Heisenberg model description even when the magnetic structure is altered and the J eff = 1/2 moments are diluted.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Magnetic properties of Sr 3 NiIrO 6 and Sr 3 CoIrO 6 : Magnetic hysteresis with coercive fields of up to 55 T

Here, we report extraordinarily large magnetic hysteresis loops in the iridates Sr 3 NiIrO 5 and Sr 3 CoIrO 6 . We find coercive magnetic fields of up to 55 T with switched magnetic moments ≈1μ B per formula unit in Sr 3 NiIrO 6 and coercive fields of up to 52 T with switched moments ≈3μ B per formula unit in Sr 3 CoIrO 6 . We propose that the magnetic hysteresis involves the field-induced evolution of quasi-one-dimensional chains in a frustrated triangular configuration. In conclusion, the striking magnetic behavior is likely to be linked to the unusual spin-orbit-entangled local state of the Ir 4+ ion and its potential for anisotropic exchange interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗