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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Pressure-induced phase coexistence in BaFe{sub 1.8}Co{sub 0.2}As{sub 2}

We report high-pressure powder synchrotron X-ray diffraction measurements of overdoped BaFe{sub 1.8}Co{sub 0.2}As{sub 2} under quasi-hydrostatic pressure up to 40.1 GPa. Our results indicate that a tetragonal (T) to collapsed tetragonal (CT) phase transition occurs at 16.8 GPa and the two phase coexist until 30 GPa, which has not been previously observed in iron arsenide compounds. Both the lattice parameters a and c show discontinuous change for the T and CT phases. The decrease of the c lattice parameter is as large as 12.2% owing to the uniaxial pressure effect. The axial ratio c/a of the T phase exhibits similar features to the other 122-type compounds below 16.8 GPa, whereas there is a very small increase with increasing pressure in the two phase coexistence region. Because of the relationship between the axial ratio and superconductivity, the abnormal expansion may be related to the sudden increase of the strength of antiferromagnetic spin fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Hydrothermal synthesis and magnetic properties of ErCrO{sub 4} nanoparticles

Homogeneous single phase ErCrO{sub 4} nanoparticles have been synthesized by a modified sol-gel followed by hydrothermal method. X-ray diffraction reveals that the compound crystallizes into tetragonal structure with space group I41/amd. The average crystallite size was estimated to be 21(1) nm. Morphological analysis of the sample confirms uniform particles of size 20 nm. DC magnetic measurements show that ErCrO{sub 4} undergoes a paramagnetic-antiferromagnetic transition at 16 K, due to the superexchange Er-O-Cr-O-Er antiferromagnetic interactions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Magnetic structure at low temperatures in FeGe{sub 2}

Magnetic phase of FeGe{sub 2} intermetallic is studied using low-temperature neutron diffraction and DC magnetization. Zero-magnetic-field neutron scattering data shows the presence of an antiferromagnetic phase in the low temperature range. We find the evidence of the presence of a ferromagnetic order overriding on the predominantly antiferromagnetic phase at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Weak ferromagnetism and nanodimensional ferroelectric domain structure stabilized in the polar phase of Bi{sub 1−x}Nd{sub x}FeO{sub 3} multiferroics via Ti doping

Crystal structure, microstructure, local ferroelectric, and magnetic properties of the Bi{sub 0.9}Nd{sub 0.1}Fe{sub 1−x}Ti{sub x}O{sub 3} samples have been investigated at room temperature to reveal the effect of Ti{sup 4+} doping on the multiferroic behavior of the lanthanide-modified compound representing a polar (space group R3c) antiferromagnetic phase of the Bi{sub 1−x}Ln{sub x}FeO{sub 3} perovskites. Ti doping results in a gradual suppression of the rhombohedral distortions, however, symmetry of the crystal structure remains the same in the entire concentration range allowing the single-phase perovskites to be obtained (x ≤ 0.08). The doping tends to reduce existing lone-pair cation-driven polar displacements, thus giving rise to a decrease of the ferroelectric polarization in the Bi{sub 0.9}Nd{sub 0.1}Fe{sub 1−x}Ti{sub x}O{sub 3} (x→0.08) series. A drastic (from ∼10 μm for x = 0 to ∼1 μm for 0.02 ≤ x ≤ 0.08) decrease of the average grain size induced by the doping is accompanied by the formation of a ferroelectric domain structure with the average domain width of ∼40 nm. Finally, the doping was shown to induce an antiferromagnetic to weak ferromagnetic transformation. The maximum remanent magnetization observed in the Bi{sub 0.9}Nd{sub 0.1}Fe{sub 1−x}Ti{sub x}O{sub 3} series at x ∼ 0.05 coincides with the locked magnetization releasing upon the magnetic field-induced suppression of the magnetic cycloid in pure BiFeO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Lanthanide contraction effect on crystal structures, magnetic, and dielectric properties in ordered double perovskites LnPbCoSbO{sub 6} (Ln = La, Pr, Nd)

The crystal structures, magnetic, and dielectric properties for the ordered double perovskites LnPbCoSbO{sub 6} (Ln = La, Pr, Nd) have been investigated. The crystal structure has been solved by Rietveld refinements of X-ray diffraction data in the monoclinic space group P2{sub 1}/n (No. 14). The Co{sup 2+} and Sb{sup 5+} ions are almost fully ordered over the B-site, and the octahedral framework displays significant tilting distortion according to the Glazer's tilt system a{sup –}a{sup –}c{sup +}. As the result of lanthanide contraction from La{sup 3+} to Nd{sup 3+}, the B-site sublattice distortions become stronger accompanying with the reduction of the tolerance factor and coordination number. The magnetization measurements show an antiferromagnetic ordering with large effective magnetic moments (μ{sub eff}) suggesting that the orbital component is significant. The maximum values of isothermal magnetization increase with the decrease in radii of rare earth ions, which is attributed to the weakening of antiferromagnetic interaction via Co{sup 2+}–O–Sb{sup 5+}–O–Co{sup 2+} paths. The dielectric constants present frequency dependence and monotonically decrease with the ionic radii reduction from La{sup 3+} to Nd{sup 3+} due to the suppression of electron transfer. These results indicate that the magnetic and dielectric properties can be tuned by controlling the degree of lattice distortion, which is realized by introducing different Ln{sup 3+} ions at the A-site.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Study of spin-polaron formation in 1D systems

We study numerically the formation of spin-polarons in low-dimensional systems. We consider a ferromagnetic Kondo lattice model with Hund coupling J{sub H} and localized spins interacting antiferromagnetically with coupling constant J. We investigate the ground state phase diagram as a function of the exchange couplings J{sub H} and J and as a function of the band filling, since it has been observed that doping either on the ferromagnetic or antiferromagnetic regime lead to formation of magnetic domains [1]. We explore the quasi-particle formation and phase separation using the density-matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Magnetic and dielectric behavior in YMn{sub 1−x}Fe{sub x}O{sub 3} (x ≤ 0.5)

The role of doping Fe on the structural, magnetic, and dielectric properties of frustrated antiferromagnet YMn{sub 1−x}Fe{sub x}O{sub 3} (x ≤ 0.5) has been investigated. The neutron diffraction analysis shows that the structure of these polycrystalline samples changes from hexagonal phase (space group P6{sub 3}cm) to orthorhombic phase (space group Pnma) for x > 0.2. The frustration parameter decreases with Fe substitution. All the compounds are antiferromagnetic, and the magnetic structure is described as a mixture of Γ3 and Γ4 irreducible representation (IR) in the hexagonal phase, and the ratio of these two IRs is found to vary with Fe doping (x ≤ 0.2). A continuous spin reorientation as a function of temperature is observed in these samples. The magnetic ground state in the orthorhombic phase of the higher doped samples (x ≥ 0.3) is explained by taking Γ1 (G{sub x}C{sub y}A{sub z}) representation of Pnma setting. In YMnO{sub 3} suppression of dielectric constant ε′ is observed below T{sub N} indicative of magnetoelectric coupling. This anomalous behavior reduces in Fe doped samples. The dielectric constant is found to be correlated with the magnetic moment (M) obtained from neutron diffraction experiments and follows a M{sup 2} behavior close to T{sub N} in agreement with Landau theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Epitaxy of polar semiconductor Co{sub 3}O{sub 4} (110): Growth, structure, and characterization

The (110) plane of Co{sub 3}O{sub 4} spinel exhibits significantly higher rates of carbon monoxide conversion due to the presence of active Co{sup 3+} species at the surface. However, experimental studies of Co{sub 3}O{sub 4} (110) surfaces and interfaces have been limited by the difficulties in growing high-quality films. We report thin (10–250 Å) Co{sub 3}O{sub 4} films grown by molecular beam epitaxy in the polar (110) direction on MgAl{sub 2}O{sub 4} substrates. Reflection high-energy electron diffraction, atomic force microscopy, x-ray diffraction, and transmission electron microscopy measurements attest to the high quality of the as-grown films. Furthermore, we investigate the electronic structure of this material by core level and valence band x-ray photoelectron spectroscopy, and first-principles density functional theory calculations. Ellipsometry reveals a direct band gap of 0.75 eV and other interband transitions at higher energies. A valence band offset of 3.2 eV is measured for the Co{sub 3}O{sub 4}/MgAl{sub 2}O{sub 4} heterostructure. Magnetic measurements show the signature of antiferromagnetic ordering at 49 K. FTIR ellipsometry finds three infrared-active phonons between 300 and 700 cm{sup −1}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Exotic exchange bias at epitaxial ferroelectric-ferromagnetic interfaces

Multiferroics in spintronics have opened up opportunities for future technological developments, particularly in the field of ferroelectric (FE)-ferromagnetic (FM) oxide interfaces with functionalities. We find strong exchange bias shifts (up to 84 Oe) upon field cooling in metal-oxide (Fe/BaTiO{sub 3}) films combining FM and FE layers. The saturation magnetic moment of the FM layer is also significantly higher than in bulk (3.0 ± 0.2 μ{sub B}/atom) and the reversal mechanism occurs via a domain nucleation process. X-ray absorption spectroscopy at the Fe K-edge and Ba L3-edge indicate presence of few monolayers of antiferromagnetic FeO at the interface without the formation of any BaFeO{sub 3} layer. Polarized neutron reflectometry corroborates with our magnetization data as we perform depth profiling of the magnetic and structural densities in these bilayers. Our first principles density functional calculations support the formation of antiferromagnetic FeO layers at the interface along with an enhancement of Fe magnetic moments in the inner ferromagnetic layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Magnetic moment enhancement and spin polarization switch of the manganese phthalocyanine molecule on an IrMn(100) surface

The geometric, electronic, and magnetic structures of a manganese phthalocyanine (MnPc) molecule on an antiferromagnetic IrMn(100) surface are studied by density functional theory calculations. Two kinds of orientation of the adsorbed MnPc molecule are predicted to coexist due to molecular self-assembly on the surface—a top-site geometry with the Mn–N bonds aligned along the 〈100〉 direction, and a hollow-site orientation in which the Mn–N bonds are parallel to the 〈110〉 direction. The MnPc molecule is antiferromagnetically coupled to the substrate at the top site with a slight reduction in the magnetic moment of the Mn atom of the MnPc molecule (Mn{sub mol}). In contrast, the magnetic moment of the Mn{sub mol} is enhanced to 4.28 μB at the hollow site, a value larger than that in the free MnPc molecule (3.51 μB). Molecular distortion induced by adsorption is revealed to be responsible for the enhancement of the magnetic moment. Furthermore, the spin polarization of the Mn{sub mol} atom at around the Fermi level is found to change from negative to positive through an elongation of the Mn–N bonds of the MnPc. We propose that a reversible switch of the low/high magnetic moment and negative/positive spin polarization might be realized through some mechanical engineering methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Microscopic model for exchange bias from grain-boundary disorder in a ferromagnet/antiferromagnet thin film with a nanocrystalline microstructure

Monte Carlo spin simulations were coupled to a Voronoi microstructure-generator to predict the magnitude and behavior of exchange bias in a ferromagnet/antiferromagnet (AF) thin film bilayer with a nanocrystalline microstructure. Our model accounts for the effects of irregular grain-shapes, finite-sized particles, and the possible presence of local random-fields originating from the antiferromagnet's grain-boundary regions. As the grain-boundary represents a crystal-structure distortion, we model the local effect on the exchange constants in the Gaussian approximation which can cause regions resembling a spin glass confined to an unusual 2D topology. Although an ensemble of completely disconnected AF grains isolated by non-magnetic barriers provides a small exchange bias, the introduction of a spin-glass network at the boundaries causes a four-fold enhancement in the magnitude of the loop-shift. This implies the importance of local grain-boundary behavior in defect-engineered antiferromagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Large dielectric permittivity and possible correlation between magnetic and dielectric properties in bulk BaFeO{sub 3−δ}

We report structural, magnetic, and dielectric properties of oxygen deficient hexagonal BaFeO{sub 3−δ}. A large dielectric permittivity comparable to that of other semiconducting oxides is observed in BaFeO{sub 3−δ}. Magnetization measurements indicate magnetic inhomogeneity and the system shows a paramagnetic to antiferromagnetic transition at ∼160 K. Remarkably, the temperature, at which paramagnetic to antiferromagnetic transition occurs, around this temperature, a huge drop in the dissipation factor takes place and resistivity shoots up; this indicates the possible correlation among magnetic and dielectric properties. First principle simulations reveal that some of these behaviors may be explained in terms of many body electron correlation effect in the presence of oxygen vacancy present in BaFeO{sub 3−δ} indicating its importance in both fundamental science as well as in applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Substitution effect on the magnetic and transport properties of CeNi{sub 0.8−x}Mn{sub x}Bi{sub 2}

We report the results of Mn substitution for Ni in CeNi{sub 0.8}Bi{sub 2} (i.e., CeNi{sub 0.8−x}Mn{sub x}Bi{sub 2}). All the samples have an antiferromagnetic ordered state below T{sub N} = 5.0 K due to localized 4f-magnetic moment on the Ce ions. Besides this antiferromagnetic ordering caused by Ce, the magnetic and transport properties are abruptly changed with increasing Mn contents at the boundary composition of x = 0.4. The magnetic state is changed into a ferromagnetic state around 200 K for x > 0.4, where the electrical resistivity is strongly suppressed to become simple metallic. These results of ferromagnetism and metallicity can be explained by the double exchange mechanism, rather than the simple picture of Doniach phase diagram. The mixed valence states of Ni and Mn ions are confirmed by X-ray photoelectron spectroscopy. For x ≤ 0.4, the initial Ni{sup 3+} state gradually changes to the Ni{sup 2+} state with increasing x up to 0.4. On further increase of x > 0.4, the Ni{sup 2+} state is replaced by the Mn{sup 2+} state, which gradually changes to the final Mn{sup 3+} state. We also present an inelastic neutron scattering (INS) measurements on CeNi{sub 0.8}Bi{sub 2} (i.e., x = 0) between 1.2 and 12 K. The high energy INS study reveals the presence of two well-defined crystal electric field (CEF) excitations near 9 meV and 19 meV at 1.2 K and 6 K, while the low energy INS study reveals the presence of quasielastic scattering above 4 K. We will discuss our INS results of CeNi{sub 0.8}Bi{sub 2} based on the CEF model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Cooperative spin freezing and the pinning assisted thermoremanent magnetization in Ni{sub 2.04}Mn{sub 1.36}Sn{sub 0.6} alloy

Detailed investigation on the ground-state magnetic properties of Ni{sub 2.04}Mn{sub 1.36}Sn{sub 0.6} alloy is reported. The sample undergoes martensitic type structural transformation from a cubic austenite phase to an orthorhombic martensite phase on cooling around T{sub M} = 220 K. It orders ferromagnetically just above room temperature with T{sub C} = 310 K. The phases above and below T{sub M} are predominantly ferromagnetic, although incipient antiferromagnetic correlations have been mooted between the Mn atoms sitting at two different crystallographic sites. The zero-field-cooled magnetic state shows a step like anomaly around T{sub B} = 100 K, and the sample is found to show clear signature of spin glass like behaviour below this point. It is also associated with considerable exchange bias effect below T{sub B}, where horizontal shift of isothermal magnetization loop is observed in the field-cooled state. Apart from exchange bias, there exists large thermoremanent magnetization. Interestingly, the thermoremanent magnetization obtained by cooling the sample from above and just below the first order martensitic transition failed to show any sizable change, which rules out any major role of field induced arrest across the first order transition. The observed thermoremanent magnetization is presumably due to the effect of pinning of uncompensated spins in this magnetically inhomogeneous system with random ferromagnetic as well as antiferromagnetic bonds on field cooling through the onset point (T{sub B}) of the spin-glass like state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Exchange bias effect in Ti doped nanocrystalline SrFeO{sub 3-δ}

Materials of Ti doped nanocrystalline SrFeO{sub 3-δ} were synthesized through solid state reaction. Detailed magnetization measurements were carried out in zero field cooled (ZFC) and field cooled (FC) conditions. Compounds of SrFe{sub 1-x}Ti{sub x}O{sub 3-δ} (x = 0.1 to 0.3) are found to be spin glass and parent compound is a helical antiferromagnet. Non magnetic Ti{sup 4+} reduces the strength of exchange interactions and the curvature of hysteresis is changed towards concave nature. Exchange bias is observed below the peak temperature (irreversibility in magnetization (T{sub Irr})) in ZFC-FC of SrFe{sub 1-x}Ti{sub x}O{sub 3-δ} (x = 0 to 0.3). The coercivity and exchange bias field values are found to be decreases with increase in temperature. Observed exchange bias effect is attributed to competition between antiferromagnetic superexchange and ferromagnetic double exchange interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Strain induced ferromagnetism in epitaxial Cr{sub 2}O{sub 3} thin films integrated on Si(001)

We report on the epitaxial growth and magnetic properties of antiferromagnetic and magnetoelectric (ME) Cr{sub 2}O{sub 3} thin films deposited on cubic yttria stabilized zirconia (c-YSZ)/Si(001) using pulsed laser deposition. The X-ray diffraction (2ϴ and Φ) and TEM characterizations confirm that the films were grown epitaxially. The Cr{sub 2}O{sub 3}(0001) growth on YSZ(001) occurs with twin domains. There are four domains of Cr{sub 2}O{sub 3} with in-plane rotation of 30° or 150° from each other about the [0001] growth direction. The epitaxial relation between the layers is given as [001]Si ‖ [001]YSZ ‖ [0001]Cr{sub 2}O{sub 3} and [100]Si ǁ [100]YSZ ǁ [101{sup ¯}0] Cr{sub 2}O{sub 3} or [112{sup ¯}0] Cr{sub 2}O{sub 3}. Though the bulk Cr{sub 2}O{sub 3} is an antiferromagnetic with T{sub N} = 307 K, we found that the films exhibit ferromagnetic like hysteresis loops with high saturation and finite coercive field up to 400 K. The thickness dependent magnetizations together with oxygen annealing results suggest that the ferromagnetism (FM) is due to oxygen related defects whose concentration is controlled by strain present in the films. This FM, in addition to the intrinsic magneto-electric properties of Cr{sub 2}O{sub 3}, opens the door to relevant spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Collapse of ferromagnetism in itinerant-electron system: A magnetic, transport properties, and high pressure study of (Hf,Ta)Fe{sub 2} compounds

The magnetism and transport properties were studied for Laves (Hf,Ta)Fe{sub 2} itinerant-electron compounds, which exhibit a temperature-induced first-order transition from the ferromagnetic (FM) to the antiferromagnetic (AFM) state upon heating. At finite temperatures, the field-induced metamagnetic phase transition between the AFM and FM has considerable effects on the transport properties of these model metamagnetic compounds. A large negative magnetoresistance of about 14% is observed in accordance with the metamagnetic transition. The magnetic phase diagram is determined for the Laves Hf{sub 1−x}Ta{sub x}Fe{sub 2} series and its Ta concentration dependence discussed. An unusual behavior is revealed in the paramagnetic state of intermediate compositions, it gives rise to the rapid increase and saturation of the local spin fluctuations of the 3d electrons. This new result is analysed in the frame of the theory of Moriya. For a chosen composition Hf{sub 0.825}Ta{sub 0.175}Fe{sub 2}, exhibiting such remarkable features, a detailed investigation is carried out under hydrostatic pressure up to 1 GPa in order to investigate the volume effect on the magnetic properties. With increasing pressure, the magnetic transition temperature T{sub FM-AFM} from ferromagnetic to antiferromagnetic order decreases strongly non-linearly and disappears at a critical pressure of 0.75 GPa. In the pressure-induced AFM state, the field-induced first-order AFM-FM transition appears and the complex temperature dependence of the AFM-FM transition field is explained by the contribution from both the magnetic and elastic energies caused by the significant temperature variation of the amplitude of the local Fe magnetic moment. The application of an external pressure leads also to the progressive decrease of the Néel temperature T{sub N}. In addition, a large pressure effect on the spontaneous magnetization M{sub S} for pressures below 0.45 GPa, dln(M{sub s})/dP = −6.3 × 10{sup −2 }GPa{sup −1} was discovered. The presented results are consistent with Moriya's theoretical predictions and can significantly help to better understand the underlying physics of itinerant electron magnetic systems nowadays widely investigated for both fundamental and applications purposes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Controllable exchange bias in Fe/metamagnetic FeRh bilayers

We report the studies of tuning the exchange bias at ferromagnetic Fe/metamagnetic FeRh bilayer interfaces. Fe/FeRh(111) bilayers show exchange bias in the antiferromagnetic state of FeRh while no exchange bias occurs at Fe/FeRh(001) interface. The contrasting results are attributed to the spin configurations of FeRh at the interface, i.e., the uncompensated ferromagnetic spin configuration of FeRh appears exclusively for (111) orientation. The exchange bias disappears as the bilayers are warmed above the antiferromagnetic-ferromagnetic transition temperature. The direction of the exchange bias for Fe/FeRh(111) is also found to be perpendicular to the cooling-field direction, in contrast to the commonly observed direction of exchange bias for ferromagnetic/antiferromagnetic interfaces. In view of these results, the exchange bias in Fe/FeRh bilayers with the (111) crystallographic orientation should be useful for the design of rapid writing technology for magnetic information devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗