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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Ce{sub 11}Ge{sub 3.73(2)}In{sub 6.27}: Solid-state synthesis, crystal structure and site-preference

A novel intermetallic compound of Ce{sub 11}Ge{sub 3.73(2)}In{sub 6.27} has been synthesized through the high-temperature solid-state reaction using Nb-ampoules. A batch of well grown block-/short bar-shaped single-crystals has been obtained, and the crystal structure of the title compound has been characterized by single-crystal X-ray diffraction analyses. Ce{sub 11}Ge{sub 3.73(2)}In{sub 6.27} adopts the Ho{sub 11}Ge{sub 10}-type structure belonging to the tetragonal space group I4/mmm (Z=4, Pearson symbol tI84) with nine crystallographically unique atomic positions in the asymmetric unit. The lattice parameters are a=12.0163(1) Å and c=16.5396(2) Å. The overall crystal structure can simply be depicted as an assembly of three different types of co-facial cationic polyhedra centered by anions, which is further enclosed by the three-dimensional (3-D) cage-like anionic framework. The extra amount of In is observed in one of three isolated anionic sites resulting in introducing the Ge/In-mixed site at the Wyckoff 4e site. This unique site-preference of In substitution for Ge at the 4e site has been enlightened via the atomic size-aspect which was fully supported and rationalized by the site- and bond-energies analyses using tight-binding linear muffin-tin orbital (TB-LMTO) calculations. Energy-dispersive X-ray spectroscopy (EDS), density of states (DOS), crystal orbital Hamilton population (COHP), and electron localization function (ELF) analyses for the title compound are also presented. Magnetic susceptibility measurement proves that an antiferromagnetic ordering of Ce atoms at a low temperature with a paramagnetic Curie temperature of −23.2 K. - Graphical abstract: Reported is experimental and theoretical investigations for Ce{sub 11}Ge{sub 3.73(2)}In{sub 6.27}, which is the first reported example having the extra amounts of In substitution for Ge at one of three “isolated” anionic sites in the Ho{sub 11}Ge{sub 10}-type phase. The observed In site-preference toward the particular anionic site was rationalized via the atomic size-aspect supported by comprehensive analyses for the site-energies including the Wyckoff 4e and 8j sites. - Highlights: • Block or short-bar shaped single-crystals of Ce{sub 11}Ge{sub 3.73(2)}In{sub 6.27} were synthesized. • The first example of having the In/Ge mixture at the “isolated” anionic site. • The site-preference of In was rationalized by the site- and bond-energies.

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

External anion effect on the synthesis of new MOFs based on formate and a twisted divergent ligands

New copper(II) metal–organic compounds with the formulae [Cu{sub 3}Cl(HCO{sub 2}){sub 5}(SCS){sub 3}(H{sub 2}O){sub 2}]·8H{sub 2}O·EtOH (1) and [Cu{sub 3}(HCO{sub 2}){sub 4}(SCS){sub 4}(H{sub 2}O){sub 2}](NO{sub 3}){sub 2}·9H{sub 2}O (2) (SCS=bis(4-pyridylthio)methane) have been synthesized after a careful study of the reaction of the SCS ligand with copper(II) formate. The compounds were obtained in the presence of sodium chloride and nitrate salts under microwave irradiation. The influence of the anion at different metal/anion ratios on the final architecture has been studied. The new chloride-MOF 1 has been characterized by electron paramagnetic resonance (EPR), magnetic properties and single crystal X-ray diffraction studies. The thermal stability and topological analysis have also been investigated. - Highlights: • Microwave synthesis of coordination polymers. • Anion-derived structural changes. • Influence of anions at different metal/anion ratios on the final architectures. • EPR and magnetic characterization of a MOF compound.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Crystal growth, electronic structure, and properties of Ni-substituted FeGa{sub 3}

Crystals of the Fe{sub 1−x}Ni{sub x}Ga{sub 3} limited solid solution (x<0.045) have been grown from gallium flux. We have explored the electronic structure as well as magnetic and thermoelectric properties of Fe{sub 0.975}Ni{sub 0.025}Ga{sub 3} in comparison with Fe{sub 0.95}Co{sub 0.05}Ga{sub 3}, following the rigid band approach and assuming that one Ni atom donates twice the number of electrons as one Co atom. However, important differences between the Co- and Ni-doped compounds are found below 620 K, which is the temperature of the metal-to-insulator transition for both compounds. We have found that Fe{sub 0.975}Ni{sub 0.025}Ga{sub 3} displays lower degree of spatial inhomogeneity on the local level and exhibits diamagnetic behavior with a broad shallow minimum in the magnetic susceptibility near 35 K, in sharp contrast with the Curie–Weiss paramagnetism of Fe{sub 0.95}Co{sub 0.05}Ga{sub 3}. Transport measurements have shown the maximum of the thermoelectric figure-of-merit ZT of 0.09 and 0.14 at 620 K for Fe{sub 0.975}Ni{sub 0.025}Ga{sub 3} and Fe{sub 0.95}Co{sub 0.05}Ga{sub 3}, respectively. - Graphical abstract: Crystals of Ni-substituted FeGa{sub 3} up to 8 mm long were grown from gallium flux (see Figure for the temperature profile and crystal shape) that allowed studying magnetic and thermoelectric properties of the title solid solution.

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

Quaternary rare-earth arsenides REAg{sub 1−x}Zn{sub y}As{sub 2} (RE=La–Nd, Sm, Gd–Dy) with tetragonal SrZnBi{sub 2}- and HfCuSi{sub 2}-type structures

Reactions of the elements at 800 °C with the nominal compositions REAg{sub 1−x}Zn{sub x}As{sub 2} resulted in quaternary arsenides REAg{sub 1−x}Zn{sub y}As{sub 2} in which the combined Ag and Zn content deviates increasingly from unity in the Zn-richer phases, reflecting the transition from the fully stoichiometric ternary silver-containing arsenides REAgAs{sub 2} to the substoichiometric zinc-containing ones REZn{sub 0.67}As{sub 2}. Powder X-ray diffraction analysis indicated SrZnBi{sub 2}-type (space group I4/mmm, Z=4; RE=La, Ce) and HfCuSi{sub 2}-type structures (space group P4/nmm, Z=2; RE=Pr, Nd, Sm, Gd, Tb, Dy). Single-crystal X-ray diffraction analysis performed on LaAg{sub 0.5}Zn{sub 0.5}As{sub 2}, PrAg{sub 0.5}Zn{sub 0.5}As{sub 2}, and NdAg{sub 0.5}Zn{sub 0.5}As{sub 2} indicated that the Ag and Zn atoms are disordered within metal-centred tetrahedra and provided no evidence for distortion of the square As nets. The small electron excess tolerated in these quaternary arsenides and the absence of distortion in the square nets can be traced to the occurrence of As–As states that are only weakly antibonding near the Fermi level. PrAg{sub 0.5}Zn{sub 0.5}As{sub 2} and NdAg{sub 0.5}Zn{sub 0.5}As{sub 2} are paramagnetic with effective magnetic moments consistent with trivalent RE species. - Graphical abstract: On proceeding from fully stoichiometric REAgAs{sub 2} to substoichiometric REZn{sub 0.67}As{sub 2}, deficiencies in Zn content become increasingly prominent in quaternary arsenides REAg{sub 1−x}Zn{sub y}As{sub 2}. - Highlights: • Ag and Zn atoms are disordered within quaternary arsenides REAg{sub 1−x}Zn{sub y}As{sub 2}. • In Zn-richer phases, Zn deficiencies develop to counteract electron excess. • Distortions of square As net appear to be suppressed.

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

Synthesis and characterization of the divalent samarium Zintl-phases SmMg 2 Bi 2 and SmMg 2 Sb 2

Here, single crystals of LnMg 2 Bi 2 (Ln = Yb, Eu, Sm) and SmMg 2 Sb 2 were synthesized using Mg-Bi metal and Mg-Sb metal fluxes, respectively. The crystal structures are of the CaAl 2 Si 2 type with space group P3 m1 (#164, Z = 1): SmMg 2 Bi 2 ( a = 4.7745(1)Å, c = 7.8490(2)Å), EuMg 2 Bi 2 ( a = 4.7702(1)Å, c = 7.8457(2) Å), YbMg 2 Bi 2 ( a = 4.7317(2)Å, c = 7.6524(3) Å), and SmMg 2 Sb 2 ( a = 4.6861(1) Å, c = 7.7192(2) Å). Heat capacity, electrical transport, and magnetization of all bismuth containing phases were measured. The materials behave as “poor metals” with resistivity between 2 and 10 mΩ·cm. Temperature independent Van Vleck paramagnetism is observed in SmMg 2 Bi 2 indicative of divalent samarium (Sm 2+ ) ions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Faraday effect improvement by Dy{sup 3+}-doping of terbium gallium garnet single crystal

Highly transparent Dy{sup 3+}-doped terbium gallium garnet (TGG) single crystal was grown by Czochralski (Cz) method. Phase composition of the crystal was tested by XRD measurements. The distribution coefficient of Dy{sup 3+} in the crystal was obtained. The optical and magneto-optical properties were analyzed in detail, and magnetic properties of the Dy{sup 3+}-TGG crystal were studied. The paramagnetic behavior is observed down to 10 K. The as-grown crystal exhibited high optical transmittance, particularly in the visible region. The Faraday rotation was investigated over visible and near-infrared regions (VIS–NIR) at room temperature. The Verdet constants increase at measured wavelengths and high thermal stability was found in Dy{sup 3+}-doped TGG, as compared to the properties of pure TGG, indicating that Dy{sup 3+}-doped crystals are preferable for magneto-active materials used in Faraday devices at VIS–NIR wavelengths. - Graphical abstract: Highly transparent Dy{sup 3+}-doped terbium gallium garnet (TGG) and pure TGG single crystals were grown by Czochralski method. The Dy{sup 3+}-doped TGG possesses 20–30% higher Verdet values in reference to TGG independently on wavelength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Structural, magnetic, magneto-caloric and Mössbauer spectral study of Tb{sub 2}Fe{sub 17} compound synthesized by arc melting

We have synthesized the intermetallic Tb{sub 2}Fe{sub 17} compound in hexagonal crystal structure by arc-melting without annealing. X-ray diffraction pattern has been refined by Rietveld method. The crystal structure is hexagonal with P6{sub 3}/mmc space group (Th{sub 2}Ni{sub 17}-type). The Mössbauer spectrum of Tb{sub 2}Fe{sub 17} compound has been analyzed with seven magnetic sextets assigned to the inequivalent crystallographic sites. The temperature dependence of magnetization data revealed that Tb{sub 2}Fe{sub 17} exhibits a second-order ferromagnetic to paramagnetic phase transition in the vicinity of Curie temperature (T{sub C}=412 K). The relative cooling power around the magnetic transition and the Arrott plots are also reported. - Graphical abstract: A 3D surface showing the temperature and applied magnetic field dependencies of the magnetization for Tb{sub 2}Fe{sub 17} compound (left). Rietveld analysis of the XRD pattern (right). Crystal structure for the hexagonal P6{sub 3}/mmc Tb{sub 2}Fe{sub 17} (bottom). Display Omitted - Highlights: • Tb{sub 2}Fe{sub 17} single-phase synthesized by simple arc-melting without any heat treatment. • The crystal structure is hexagonal with P6{sub 3}/mmc space group. • The magnetic entropy change of the sample was determined by Maxwell relation. • Hyperfine parameters, magnetic and magnetocaloric properties were studied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Magnetic remanence in Yb{sub 14−x}RE{sub x}MnSb{sub 11} (RE=Tb, Dy, Ho) single crystals

Single crystals of Yb{sub 14−x}RE{sub x}MnSb{sub 11} (x~0.1, 0.4; RE = Tb, Dy, Ho) have been prepared as a solid solution by Sn flux reactions of the elements. They crystallize in the Ca{sub 14}AlSb{sub 11} structure type in the I4{sub 1}/acd space group. The RE{sup 3+}preferentially substitutes on the Yb(1) site which is the smallest volume Yb containing polyhedron. In the case of Ho{sup 3+}, a small amount of Ho{sup 3+} also substitutes on the Yb(4) site. The ferromagnetic ordering temperature of Yb{sub 14}MnSb{sub 11} is reduced from 53 K to 41 K as x increases and dependent on the identity of the RE. This is attributed to the reduction in carriers and reduced screening of the Mn{sup 2+} local moment. The effective moments, μ{sub eff,} agree well with the calculated moments assuming the RE substitutes as a trivalent cation. The largest coercive field is observed for RE = Dy (1000 Oe). For the maximum x of Yb{sub 14−x}RE{sub x}MnSb{sub 11} there are enough carriers for the Ruderman-Kittel-Kasuya-Yosida (RKKY) mechanism of magnetic coupling via conduction electrons to still be valid in describing the ferromagnetic ordering. - Graphical abstract: Field dependent susceptibility loops revealed magnetic remanence in these materials, which has not been previously observed in Yb{sub 14}MnSb{sub 11} compounds. The coercive field increases with the strength of the paramagnetic moment for the substituting rare earth and the amount of the rare earth that is substituted. Display Omitted - Highlights: • Yb{sub 14−x}RE{sub x}MnSb{sub 11} (RE=Tb, Dy, & Ho) were synthesized with x~0.2 and x~0.4. • Tb, Dy, & Ho preferentially substitute on the Yb(1) site. • Samples with the largest x and largest RE moment have the largest coercive field. • There is a split between zero field cooled and field cooled susceptibility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Layered vanadyl (IV) nitroprusside: Magnetic interaction through a network of hydrogen bonds

The hydrogen bond and π-π stacking are two non-covalent interactions able to support cooperative magnetic ordering between paramagnetic centers. This contribution reports the crystal structure and related magnetic properties for VO[Fe(CN){sub 5}NO]·2H{sub 2}O, which has a layered structure. This solid crystallizes with an orthorhombic unit cell, in the Pna2{sub 1} space group, with cell parameters a=14.1804(2), b=10.4935(1), c=7.1722(8) Å and four molecules per unit cell (Z=4). Its crystal structure was solved and refined from powder X-ray diffraction data. Neighboring layers remain linked through a network of hydrogen bonds involving a water molecule coordinated to the axial position for the V atom and the unbridged axial NO and CN ligands. An uncoordinated water molecule is found forming a triple bridge between these last two ligands and the coordinated water molecule. The magnetic measurements, recorded down to 2 K, shows a ferromagnetic interaction between V atoms located at neighboring layers, with a Curie-Weiss constant of 3.14 K. Such ferromagnetic behavior was interpreted as resulting from a superexchange interaction through the network of strong OH····O{sub H2O}, OH····N{sub CN}, and OH····O{sub NO} hydrogen bonds that connects neighboring layers. The interaction within the layer must be of antiferromagnetic nature and it was detected close to 2 K. - Graphical abstract: Coordination environment for the metals in vanadyl (II) nitroprusside dihydrate. Display Omitted - Highlights: • Crystal structure of vanadyl nitroprusside dehydrate. • Network of hydrogen bonds. • Magnetic interactions through a network of hydrogen bonds. • Layered transition metal nitroprussides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Single crystal growth and characterization of Na{sub x}Ln{sub 1−x}MoO{sub 4}, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397–0.499)

Single crystals of La{sub 0.516(3)}Na{sub 0.484(3)}MoO{sub 4}, Ce{sub 0.512(2)}Na{sub 0.488(2)}MoO{sub 4}, Pr{sub 0.502(2)}Na{sub 0.498(2)}MoO{sub 4,} Nd{sub 0.501(2)}Na{sub 0.499(2)}MoO{sub 4}, Sm{sub 0.509(2)}Na{sub 0.491(2)}MoO{sub 4}, and Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4} were grown for the first time out of an alkali metal halide eutectic flux. All compounds crystallize in the tetragonal space group I4{sub 1}/a. UV/Vis measurements show the presence of an absorption edge for all compounds except Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4}. The temperature dependence of the magnetic susceptibility was measured for all compounds and found to be paramagnetic across the entire 2–300 K temperature range measured. - Graphical abstract: Single crystals of La{sub 0.516(3)}Na{sub 0.484(3)}MoO{sub 4}, Ce{sub 0.512(2)}Na{sub 0.488(2)}MoO{sub 4}, Pr{sub 0.502(2)}Na{sub 0.498(2)}MoO{sub 4,} Nd{sub 0.501(2)}Na{sub 0.499(2)}MoO{sub 4}, Sm{sub 0.509(2)}Na{sub 0.491(2)}MoO{sub 4}, and Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4} were grown for the first time out of an alkali metal halide eutectic flux. All compounds crystallize in the tetragonal space group I4{sub 1}/a. Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4} was found to possess the highest Mo{sup 5+} content at 20.6%. UV/Vis, magnetic susceptibility, and a bond valence sum analysis were performed on all samples. Display Omitted - Highlights: • Six lanthanide sodium molybdates have been synthesized and characterized. • An in situ reduction was carried out using Mo as a metal reducing agent. • UV/Vis and magnetic susceptibility data were collected. • Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4} was found to possess the highest Mo{sup 5+} content at 20.6%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Structural and magnetotransport properties of the Y doped A-site deficient double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7}

We present structural, magnetic and electrical properties of the polycrystalline A-site-deficient yttrium doped double layered manganites La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3 and 0.4) prepared by a solid state reaction method. The samples crystallize in the tetragonal structure with the space group I4/mmm. Doping with Y decreases the cell parameters and causes a decrease of the metal-insulator transition temperature. The same evolution with doping is also seen for the deduced Curie temperature from susceptibility curves which present a clear paramagnetic-ferromagnetic transition. The significant positive intrinsic magnetoresistance, shown in all samples, reaches 85% at 122 K under 7 T for 0.3 doped sample and can be attributed to the suppression of spin fluctuations via aligning the spins under external magnetic field, while the extrinsic one is attributed to the inter-grain spin-polarized tunneling across the grain boundaries. The simulation of the resistivity curves in the entire temperature range show that the percolation model is suitable to fit our results. The applied magnetic field increases the density of states near the Fermi level, which is in accordance with the observed decrease of resistivity. - Graphical abstract: Resistivity and magnetoresistance of La{sub 1.2−x}□{sub 0.2}Y{sub x}Ca{sub 1.6}Mn{sub 2}O{sub 7} (x=0.2, 0.3, 0.4). Solid lines correspond to the fitting results. Display Omitted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Structure and magnetic properties of chromium doped cobalt molybdenum nitrides

Four nanocomposites containing mixed phases of Co{sub 3}Mo{sub 3}N and Co{sub 2}Mo{sub 3}N doped with chromium have been prepared. A linear fit is found for relation between Co{sub 2}Mo{sub 3}N and chromium concentrations. The magnetization in ZFC and FC modes at different temperatures (2–300 K) and in applied magnetic fields (up to 70 kOe) have been investigated. It has been detected that many magnetic characteristics of the studied four nanocomposites correlate not with the chromium concentration but with nanocrystallite sizes. The obtained results were interpreted in terms of magnetic core-shell model of a nanoparticle involving paramagnetic core with two magnetic sublattices and a ferromagnetic shell related to chromium doping. - Highlights: • A new chromium doped mixed Co-Mn-N nanocomposites were synthesized. • Surface ferromagnetism was detected in a wide temperature range. • Core-shell model was applied to explain nanocomposites magnetism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Synthesis, structure and magnetic properties of new γ-Ba(CoV{sub 1-x}P{sub x}O{sub 4}){sub 2} x = 0.4–0.5

The phase composition of the system BaCo{sub 2}(VO{sub 4}){sub 2}–Ba(CoPO{sub 4}){sub 2} has been studied. At room temperature two miscibility gaps have been detected, with the formation of substitutional solid solutions Ba(CoV{sub 1-x}P{sub x}O{sub 4}){sub 2} for x = 0.4–0.5 basing on the γ-BCPO structure type. An increase in the vanadium cation concentration leads to the stabilization of the rhombohedral crystal lattice. The crystallographic characteristics of two new phosphate - vanadates Ba(CoV{sub 0.5}P{sub 0.5}O{sub 4}){sub 2} and Ba(CoV{sub 0.6}P{sub 0.4}O{sub 4}){sub 2} isostructural to γ-BCPO have been obtained, their crystal structures have been described, and their magnetic properties have been analyzed. It was shown that in α-BCPO, as distinct from other examined phases, a three-dimensional ferromagnetic ordering characterized by a wide hysteresis loop takes place at low temperatures. The enhanced values of the magnetic moment in the paramagnetic phase BaCo{sub 2}(VO{sub 4}){sub 2} and solid solutions based on γ-BCPO are attributed to the peculiarities of the crystal environment.

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

Physical and electrochemical study of cobalt oxide nano- and microparticles

Cobalt oxide nanocrystals of size 17–21 nm were synthesized by a simple reaction between cobalt acetate (II) and dodecylamine. On the other hand, micrometric Co{sub 3}O{sub 4} was prepared using the ceramic method. The structural examination of these materials was performed using powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and transmission electron microscopy (TEM and HRTEM). XRD studies showed that the oxides were pure, well-crystallized, spinel cubic phases with a-cell parameter of 0.8049 nm and 0.8069 nm for the nano and micro-oxide, respectively. The average particle size was 19 nm (nano-oxide) and 1250 μm (micro-oxide). Morphological studies carried out by SEM and TEM analyses have shown the presence of octahedral particles in both cases. Bulk and surface properties investigated by X-ray photoelectron spectroscopy (XPS), point zero charge (pzc), FTIR and cyclic voltammetry indicated that there were no significant differences in the composition on both materials. The magnetic behavior of the samples was determined using a vibrating sample magnetometer. The compounds showed paramagnetic character and no coercivity and remanence in all cases. Galvanostatic measurements of electrodes formed with nanocrystals showed better performance than those built with micrometric particles. - Highlights: • Spinel Co{sub 3}O{sub 4} nanoparticles and microparticles with same structure but with different cell parameters, particle size and surface area were synthesized. • Oxide nanoparticles showed better electrochemical behavior than micrometric ones due to area effect.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The effect of annealing on the transformation and the microstructure of Mn{sub 1−x}Cr{sub x}CoGe alloys

In this work the effect of different thermal treatments on the transformation behavior of Mn{sub 1−x}Cr{sub x}CoGe alloys, with x = 0.15 and 0.20 has been analyzed. The changes in the transformation temperatures have been studied by differential scanning calorimetry (DSC). The results show that the structural transition temperature depends on the previous annealing. However, under the same heat treatment no significant change is observed on the transformation temperatures when replacing Mn by Cr. The microstructural evolution has been monitored using in-situ X-ray diffraction and transmission electron microscopy. The effect of an applied magnetic field on the transformation has been explored by SQUID magnetometry. Two different magnetic transitions are found: a first order paramagnetic (PM) to ferromagnetic (FM) corresponding to the transformation observed by calorimetry and a re-entrant spin glass to ferromagnetic transition. - Highlights: • The annealing conditions determine the magnetostructural transition. • A laminar microstructure along preferential planes observed by TEM • A RSG to ferromagnetic transition at low temperatures is detected.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Characterization of low alloy ferritic steel–Ni base alloy dissimilar metal weld interface by SPM techniques, SEM/EDS, TEM/EDS and SVET

The interface region of welded A508–Alloy 52 M is characterized by scanning probe microscope (SPM) techniques, scanning electron microscopy (SEM)/energy dispersive spectroscopy (EDS), transmission electron microscopy (TEM)/Energy Dispersive Spectroscopy (EDS) and scanning vibrate electrode technique (SVET). The regions along the welded A508–Alloy 52 M interface can be categorized into two types according to their different microstructures. In the type-I interface region, A508 and Alloy 52 M are separated by the fusion boundary, while in the type-II interface region, A508 and Alloy 52 M are separated by a martensite zone. A508, martensite zone and grain boundaries in Alloy 52 M are ferromagnetic while the Alloy 52 M matrix is paramagnetic. The Volta potentials measured by scanning Kelvin probe force microscopy (SKPFM) of A508, martensite zone and Alloy 52 M follow the order: V{sub 52} {sub M} > V{sub A508} > V{sub martensite}. The corrosion behavior of A508–Alloy 52 M interface region is galvanic corrosion, in which Alloy 52 M is cathode while A508 is anode. The martensite dissolves faster than Alloy 52 M, but slower than A508 in the test solution. - Highlights: • The A508–Alloy 52 M interface regions can be categorized into two types. • The chromium depleted region is observed along the Alloy 52 M grain boundary. • The Alloy 52 M grain boundaries which are close to the interface are ferromagnetic. • Martensite zone has lower Volta potential but higher corrosion resistance than A508.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Characterization of mechano-thermally synthesized Curie temperature-adjusted La{sub 0.8}Sr{sub 0.2}MnO{sub 3} nanoparticles coated with (3-aminopropyl) triethoxysilane

This research aimed to synthesize nanostructured strontium-doped lanthanum manganite, La{sub 0.8}Sr{sub 0.2}MnO{sub 3} (LSMO), with its Curie temperature (T{sub c}) adjusted to the therapeutic range, through a mechanothermal route. In order to investigate the effect of heat treatment temperature and duration on the resulting crystallite size, morphology, magnetic behavior and Curie temperature, the starting powder mixture was milled in a planetary ball mill before being subsequently heat treated at distinct temperatures for different time lengths. The composition, morphology, and magnetic behavior were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED) and vibrating sample magnetometer (VSM). In addition, magnetic properties were further investigated using an alternating current (AC) susceptometer and thermo-magnetic analyzer. 20 h of milling produced a crystallite size reduction leading to a decrease in the heat treatment temperature of LSMO synthesis to 800 °C. Moreover, SEM analysis has shown the morphology of a strong agglomeration of fine nanoparticles. HRTEM showed clear lattice fringes of high crystallinity. The mean crystallite and particle size of 20-hour milled sample heat treated at 1100 °C for 10 h are relatively 69 and 100 nm, respectively. The VSM data at room temperature, indicated a paramagnetic behavior for samples heat treated at 800 °C. However, by increasing heat treatment temperature to 1100 °C, LSMO indicates a ferromagnetic behavior with well-adjusted Curie temperature of 320 K, suitable for hyperthermia applications. Also, reentrant spin glass (RSG) behavior has been found in heat treated samples. The particles are coated with (3-aminopropyl) triethoxysilane (APTES) for biocompatibility purposes; Fourier transform infrared spectroscopy (FTIR) and thermo-gravimetric analysis (TGA) are used for further confirmation of APTES coating. - Highlights: • La{sub 0.8}Sr{sub 0.2}MnO{sub 3} nanoparticles were synthesized via a mechanothermal route. • We report a significant reduction in the heat treatment temperature. • The Curie temperature was tuned within the therapeutic range. • The particles were coated with (3-aminopropyl) triethoxysilane for biocompatibility purposes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Role of Eu{sup 2+} on the blue‐green photoluminescence of In{sub 2}O{sub 3}:Eu{sup 2+} nanocrystals

Blue‐green light emitting undoped and europium doped indium oxide nanocrystal were synthesized by simple precipitation method. X-ray diffraction (XRD) pattern confirmed the cubic phase of undoped and europium doped samples. Further, transmission electron microscopy (TEM), scanning electron microscopy (SEM) , energy dispersive analysis of X-rays (EDAX), Fourier transform infra-red (FT-IR), photoluminescence (PL), electron paramagnetic resonance (EPR) studies were performed to characterise the samples. PL analysis of the samples is the core of the present research. It includes excitation, emission and CIE (Commission Internationale de l’e´ clairage) studies of the samples. On doping europium to In{sub 2}O{sub 3} lattice, ln{sup 3+} site is substituted by Eu{sup 2+} thereby increasing the concentration of singly ionized oxygen vacancy and hence blue–green emission from the host is found to increase. Further, this increase in blue–green emission after doping may also be attributed to 4f → 5d transitions of Eu{sup 2+}. However, the blue–green PL emission is found to decrease after an optimum dopant concentration (Eu{sup 2+} = 4%) due to luminescence and size quenching. CIE co-ordinates of the samples are calculated to know colour of light emitted from the samples. It suggests that this blue–green light emitting In{sub 2}O{sub 3}: Eu{sup 2+} nanocrystals may find application in lighting such as in generation of white light. - Highlight: • XRD and TEM study confirms the synthesis of cubic doped and europium doped nanocrystals. • EPR study reveals the doped europium is in + 2 oxidation state. • Enhance PL emission intensity of host material due to increase in singly ionized oxygen vacancy and 4f–5d transitions of Eu{sup 2+} • CIE co-ordinates suggest the blue–green colour of the samples.

36 MATERIALS SCIENCE↗