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Near-UV and blue wavelength excitable Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} high efficiency red phosphors

Red phosphors with narrow emission around 615 nm (with FWHM~5–10 nm) having chemical compositions of A{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} (A=Mg, Sr) have been found to exhibit the highest luminescence amongst the molybdate–tungstate family when excited by sources in the 380–420 nm wavelength range. Thus they are most suitable for enhancing color rendering index and lowering color temperature in phosphor converted white LEDs (pc-WLEDs) with near-UV/blue LED excitation sources. The excitation band edge in the near UV/blue wavelength in the reported phosphor has been attributed to the coordination environment of the transition metal ion (Mo{sup 6+}, W{sup 6+}) and host crystal structure. Furthermore the quantum efficiency of the phosphors has been enhanced by adjusting activator concentration, suitable compositional alloying using substitutional alkaline earth metal cations and charge compensation mechanisms. - Graphical abstract: The charge transfer excitation of orthorhombic Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} is significantly higher than tetragonal CaMoO{sub 4}: Eu{sup 3+} phosphors making Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} prime candidates for fabrication of warm white phosphor-converted LEDs. - Highlights: • LED excitable Mg{sub 0.6}Ca{sub 2.16}Mo{sub 0.2}W{sub 0.8}O{sub 6}: Eu{sub 0.12}{sup 3+}/Na{sub 0.12}{sup +} phosphors were synthesized. • These phosphors are 10 times more intense than CaMoO{sub 4}: Eu{sup 3+} red phosphors. • Their intensity and efficiency were enhanced by materials optimization techniques. • Such techniques include compositional alloying, charge compensation, etc.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Study of Mössbauer and magnetic properties of Al{sup 3+} ions doped superparamagnetic nano ferrites

Nanocrystalline Al{sup 3+} ions doped Mg{sub 0.2}Mn{sub 0.5}Ni{sub 0.3}Al{sub y}Fe{sub 2-y}O{sub 4} compositions, where y=0.0 and 0.10 have been synthesized by citrate precursor method. Crystal structure and magnetic properties have been investigated at room temperature by means of X-ray diffraction, TEM, LCR meter, VSM and Mössbauer spectroscopy. Particle size and lattice parameter has been found to decrease as non-magnetic Al content increased. Relative loss factor has very low value in range of 10{sup −6}–10{sup −5} which is three orders of magnitude less than samples prepared by conventional method. The Mössbauer spectroscopy results shows superparamagnetism. The isomer shift corresponding to Fe{sup 3+} ions do not show any significant variation which indicates that replacement of Fe{sup 3+} ions do not affect significantly the d-electrons density which in turn affects the s-electrons density around Fe{sup 3+} nuclei. The nuclear hyperfine magnetic fields have been found to decrease at A-site and B-site with increasing substitution of Al{sup 3+} ions in Mg-Mn-Ni ferrite.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic and dielectric behavior of chromium substituted Co-Mg ferrite nanoparticles

The chromium doped Co-Mg ferrite with composition Co{sub 0.5}Mg{sub 0.5}Cr{sub 0.2}Fe{sub 1.8}O{sub 4} has been synthesized using sol-gel auto combustion method. The crystal structure has been analyzed by X-ray diffraction (XRD) technique. XRD pattern reveals the formation of single phase cubic spinel structure. The magnetic measurements show ferromagnetic behavior at room temperature and large coercivity is observed on cooling down the temperature to 20 K. Dielectric constant (ε’) and dielectric loss tangent (tan δ) have been determined at room temperature as a function of frequency in the frequency range 75 kHz to 80 MHz. The decrease in dielectric constant with increasing frequency attributes to Maxwell Wagner model and conduction mechanism in ferrites.

36 MATERIALS SCIENCE↗

Permanent magnet with MgB{sub 2} bulk superconductor

Superconductors with persistent zero-resistance currents serve as permanent magnets for high-field applications requiring a strong and stable magnetic field, such as magnetic resonance imaging. The recent global helium shortage has quickened research into high-temperature superconductors (HTSs)—materials that can be used without conventional liquid-helium cooling to 4.2 K. Herein, we demonstrate that 40-K-class metallic HTS magnesium diboride (MgB{sub 2}) makes an excellent permanent bulk magnet, maintaining 3 T at 20 K for 1 week with an extremely high stability (<0.1 ppm/h). The magnetic field trapped in this magnet is uniformly distributed, as for single-crystalline neodymium-iron-boron. Magnetic hysteresis loop of the MgB{sub 2} permanent bulk magnet was determined. Because MgB{sub 2} is a simple-binary-line compound that does not contain rare-earth metals, polycrystalline bulk material can be industrially fabricated at low cost and with high yield to serve as strong magnets that are compatible with conventional compact cryocoolers, making MgB{sub 2} bulks promising for the next generation of Tesla-class permanent-magnet applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Alternating current conduction mechanisms of RbMgPO4 compound

Highlights: • Two displacive reversible phase transitions located at T{sub 1} = 442/432 K and T{sub 2} = 460/445 K (heating/cooling). • The temperature dependence of conductivity was described in terms of Arrhenius relation. • The ac conductivity of this compound is proportional to ω{sup s} where the s values are between 0 and 2. • The (CBH) model was found to be the appropriate transport mechanism in RbMgPO{sub 4} compound. - Abstract: Rubidium magnesium monophosphate (RbMgPO{sub 4}) compound was prepared from highly pure constituents by solid state reaction. It was characterized by X-ray powder diffraction, IR, Raman, differential scanning calorimetry (DSC) and impedance spectroscopy. The infrared and Raman spectra were interpreted on the basis of PO{sub 4}{sup 3−} vibrations. DSC revealed two displacive and reversible phase transitions at T{sub 1} = 442/432 K and T{sub 2} = 460/445 K (heating/cooling). The electrical conductivity was measured in the frequency and temperature range 200 Hz-5 MHz and 423 K–523 K, respectively. The obtained results were analysed by fitting the experimental data to an equivalent circuit model. The temperature dependence of alternating and direct current conductivities (σ{sub ac}, σ{sub dc}) confirms the observed transitions in the calorimetric study; they were described in terms of Arrhenius relation. The activation energy’s values were determined in each phase. The AC conductivity behavior is ensured by a single process defined as a hopping transport mechanism. The conductivity frequency dependence was interpreted using the correlated barrier-hopping model (CBH) in all phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The magnetic Curie temperature and exchange coupling between cations in tetragonal spinel oxide Mn{sub 2.5}M{sub 0.5}O{sub 4} (M = Co, Ni, Mn, Cr, and Mg) films

Mn{sub 3}O{sub 4} is a Jahn-Taller tetragonal ferrite that has a relatively low Curie temperature (T{sub c}) of {approx}43 K due to weak coupling between the canting spins. In this study, we fabricated a series of 100-nm-thick Mn{sub 2.5}M{sub 0.5}O{sub 4} (M = Co, Ni, Mn, Cr, and Mg) films via oxygen-plasma-assisted molecular beam epitaxy and measured the structural and magnetic properties of these films. These films show single phase quality, and the c-axis lattice parameter of pure Mn{sub 3}O{sub 4} is 0.944 nm, with a c/a ratio {approx}1.16, consistent with the bulk values. The replacement of Mn by M (M = Co, Ni, Cr, and Mg) changes the lattice parameters, and the c/a ratio varies between 1.16 and 1.06 depending upon the cation distribution of the films. The magnetic Curie temperatures of these films also vary in the range of 25-66 K in that Ni and Co enhance the T{sub c} whereas Mg reduces the T{sub c} (Cr shows no effect on the T{sub c}). These changes to the T{sub c} are related to both the element electronic state and the cation distributions in these compounds. As a non-collinear spin configuration can induce electrical polarization, the present study provides a systematic way to enhance the magnetic transition temperature in tetragonal spinel ferrites.

36 MATERIALS SCIENCE↗

Electronic structure and electrical transport in ternary Al-Mg-B films prepared by magnetron sputtering

Nanostructured ternary Al-Mg-B films possess high hardness and corrosion resistance. In the present work, we study their electronic structure and electrical transport. The films exhibit semiconducting characteristics with an indirect optical-bandgap of 0.50 eV, as deduced from the Tauc plots, and a semiconductor behavior with a Fermi level of {approx}0.24 eV below the conduction band. Four-probe and Hall measurements indicated a high electrical conductivity and p-type carrier mobility, suggesting that the electrical transport is mainly due to hole conduction. Their electrical properties are explained in terms of the film nanocomposite microstructure consisting of an amorphous B-rich matrix containing AlMgB{sub 14} nanoparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ab-initio calculations of semiconductor MgGeP{sub 2} and MgGeAs{sub 2}

Highlights: • MgGeP{sub 2} and MgGeAs{sub 2} are semiconductor compounds. • MgGeP{sub 2} and MgGeAs{sub 2} are energetically, mechanically and dynamically stable. • The electronic charge density contour plot shows that the nature of bonding is a mixture of ionic-covalent. - Abstract: In this study, we focus on structural, electronic, elastic, lattice dynamic and optic properties of MgGeP{sub 2} and MgGeAs{sub 2} using ab-initio density-functional theory (DFT) within Armiento-Mattson 2005 (AM05) scheme of the generalized gradient approximation (GGA) for the exchange-correlation potential. Our computed structural results are in reasonable agreement with the literature. The band gap of these compounds is predicted to be direct. Our elastic results prove that these compounds are mechanically stable. The obtained phonon spectra of MgGeP{sub 2} and MgGeAs{sub 2} do not exhibit any significant imaginary branches using GGA-AM05 for the exchange-correlation approximation. Further analysis of the optical response of the dielectric functions, optical reflectivity, refractive index, extinction coefficient and electron energy loss delves into for the energy range of 0–22.5 eV. It motivated that there exists an optical polarization anisotropy of these compounds for optoelectronic device applications.

36 MATERIALS SCIENCE↗

Mesoporous nitrogen-doped carbon microfibers derived from Mg-biquinoline-dicarboxy compound for efficient oxygen electroreduction

An in-situ MgO-templating synthesis route was introduced to obtain the mesoporous nitrogen-doped carbon microfibers by thermal conversion of new Mg-2,2′-biquinoline 4,4-dicarboxy acid coordination compound (Mg-DCA) microfibers. The investigated crystal structure of Mg-DCA testified that the assembling of Mg{sup 2+} and DCA through Mg-O coordination bond and hydrogen bond contributed to the formation of one-dimensional (1D) crystalline Mg-DCA microfibers. The nitrogen-doped carbons derived from the pyrolysis of Mg-DCA showed the well-defined microfiber morphology with high mesopore-surface area. Such mesoporous microfibers exhibited the efficient catalytic activity for oxygen reduction reaction (ORR) in alkaline solutions with better stability and methanol-tolerance performance. - Graphical abstract: Mesoporous nitrogen-doped carbon microfibers with efficient oxygen electroreduction activity were prepared by thermal conversion of new Mg-biquinoline-based coordination compound microfibers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Anisotropic magnetic properties of the triangular plane lattice material TmMgGaO4

Highlights: • TmMgGaO{sub 4} crystallizes in the R-3m space group with the YbFe{sub 2}O{sub 4} structure. • TmMgGaO{sub 4} exhibits geometric magnetic frustration with no ordering down to 1.8 K. • Magnetic properties of TmMgGaO{sub 4} are highly anisotropic. - Abstract: The crystal growth, structure, and basic magnetic properties of TmMgGaO{sub 4} are reported. The Tm ions are located in a planar triangular lattice consisting of distorted TmO{sub 6} octahedra, while the Mg and Ga atoms randomly occupy intermediary bilayers of M-O triangular bipyramids. The Tm ions are positionally disordered. The material displays an antiferromagnetic Curie Weiss theta of ∼−20 −25 K, with no clear ordering visible in the magnetic susceptibility down to 1.8 K; the structure and magnetic properties suggest that ordering of the magnetic moments is frustrated by both structural disorder and the triangular magnetic motif. Single crystal magnetization measurements indicate that the magnetic properties are highly anisotropic, with large moments measured perpendicular to the triangular planes. At 2 K, a broad step-like feature is seen in the field-dependent magnetization perpendicular to the plane on applied field near 2 T.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mineralogy at Gusev Crater from the Mossbauer spectrometer on the Spirit Rover

Mossbauer spectra measured on Mars by the Spirit rover during the primary mission are characterized by two ferrous iron doublets (olivine and probably pyroxene) and a ferric iron doublet (tentatively associated to nanophase ferric iron oxide). Two sextets resulting from nonstoichiometric magnetite are also present, except for a coating on the rock Mazatzal, where a hematite-like sextet is present. Greater proportions of ferric-bearing phases are associated with undisturbed soils and rock surfaces as compared to fresh rock surfaces exposed by grinding. The ubiquitous presence of olivine in soil suggests that physical rather than chemical weathering processes currently dominate at Gusev crater.

Minerals↗

The electronic and magnetic properties of La{sub 0.85}Zr{sub 0.15}MnO{sub 3} deposited on SrTiO{sub 3} and MgO substrates

The electronic and magnetic properties of tetravalent-ion-doped La{sub 0.85}Zr{sub 0.15}MnO{sub 3} (LZMO) thin films that were epitaxially grown on SrTiO{sub 3} (STO) and MgO substrates were studied using temperature-dependent x-ray diffraction (XRD), x-ray absorption near-edge structure, x-ray linear dichroism, and x-ray magnetic circular dichroism at the Mn L{sub 3,2}- and K-edge. XRD studies reveal that the LZMO thin films have compressive and tensile strains (along the c-axis) on the STO and MgO substrates, respectively. As the temperature is reduced from room temperature to below magnetic transition temperature, the preferentially occupied Mn majority-spin e{sub g} orbital changes from the in-plane d{sub x}{sup 2}{sub -y}{sup 2} to the out-of-plane d{sub 3z}{sup 2}{sub -r}{sup 2} orbital for LZMO/STO, and vice versa for LZMO/MgO. Experimental results suggest that the new hopping path that is mediated by the Mn{sup 2+} ions triggers a stronger d{sub 3z}{sup 2}{sub -r}{sup 2} orbital ordering of Mn{sup 3+} ions and enhances the ferromagnetic coupling between the Mn spin moments of t{sub 2g} electrons in LZMO/STO, whereas the strong tensile strain stabilizes the d{sub x}{sup 2}{sub -y}{sup 2} orbital by inducing lattice distortions of the MnO{sub 6} octahedra in LZMO/MgO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

First-principles study of dislocations in hcp metals through the investigation of the (1121) twin boundary

Herein, we use first principles calculations to study the energy of the (1121) twin boundary in Zr, Zn, Mg, Ti, and Be. This boundary is important for understanding the microyielding and damping of hexagonal close-packed metals. The (1121) twin boundary is unique in that it is composed of--and can form by the glide of--basal dislocations nucleating at every c lattice parameter. The effect of the number of atoms between boundaries on the boundary energy, and the resulting lattice strains of the relaxed structures are quantified. It is shown that the energies obtained converge within 32-64 atoms/supercell. The structures with a higher second-order elastic constant term, c{sub 44}, also have higher boundary energies. It is further shown that the critical resolved shear stresses of the basal dislocations at 0 K, which make up the (1121) twin, are so low as to be below the threshold of the first principles calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Effect of Annealing on the Properties of AW5754 Aluminum Alloy-AZ31B Magnesium Alloy Explosively Welded Bimetals

Explosive welding of AW5754 aluminum alloy to AZ31B magnesium alloy was performed. AW5754 was proposed as a flyer plate. A parallel setup was used during explosive welding. The annealing of AW5754/AZ31B composite plate at 250, 300 and 350 °C for 2, 3, 4 and 5 h was performed after explosive welding. Bimetals were characterized by regular wavy interface. Annealing resulted in the creation of intermetallic compounds (IMCs). The increase in the thickness of IMC interfacial layer was observed with increasing of annealing temperature and time. IMC layer of highest thickness was recorded after annealing at 350 °C for 5 h and averaged 67 µm. EDS analysis showed that the interfacial layer close to AW5754 alloy was formed by Al{sub 3}Mg{sub 2} IMC, and interfacial layer adjacent to the AZ31B alloy consisted of Mg{sub 17}Al{sub 12} IMC. Bright particles were spread at the AW5754-Al{sub 3}Mg{sub 2} IMC interface. Rise in the microhardness at the interface of produced bimetal was associated with work hardening. Microhardness values increased to 218 HV0.025 after annealing process due to IMCs present at the interface. Decrease in microhardness in locations close to the IMC interfacial layer was found after heat treatment due to recrystallization. The bimetal tensile strength reached 120 MPa. The annealing resulted in decrease in the bimetal tensile strength.

36 MATERIALS SCIENCE↗

Density Functional Study of Perovskite Superconductor MgCNi{sub 3}

We here report the first principle density functional study of MgCNi{sub 3} which crystallize in cubic perovskite structure having critical transition temperature of 8 K. The interesting aspect of this compound is that in normal state it is non magnetic in nature despite conduction electrons in it are derived from partially filled Ni d states, which typically lead to ferromagnetism in metallic Ni and many Ni-based binary alloys. To investigate the detailed microscopic origin of the non magnetic nature we have done density functional based calculations on this compound. The lattice constant is calculated using minimum energy criteria from total energy versus lattice constant plot. By taking the calculated values of lattice constant we have done the precise calculations on the compound using Full Potential Linear Augmented Plane Wave (FP-LAPW) method implemented in ELK code. The electronic density of states is found spin degenerate that corresponds to a non-magnetic ground state. The density of states (DOS) at Fermi level, N(E{sub F}) is dominated by Ni-d states. The sharp peak observed just below Fermi level corresponds to van Hove singularity (vHs). The projected density of states (PDOS) suggests a strong hybridization of Ni-3d and C-2p states which is responsible for the observed non magnetic nature of MgCNi{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis of the structural, electronic and optic properties of Ni doped MgSiP{sub 2} semiconductor chalcopyrite compound

The structural, electronic band structure and optic properties of the Ni doped MgSiP{sub 2} chalcopyrite compound have been performed by using first-principles method in the density functional theory (DFT) as implemented in Vienna Ab-initio Simulation Package (VASP). The generalized gradient approximation (GGA) in the scheme of Perdew, Burke and Ernzerhof (PBE) is used for the exchange and correlation functional. The present lattice constant (a) follows generally the Vegard’s law. The electronic band structure, total and partial density of states (DOS and PDOS) are calculated. We present data for the frequency dependence of imaginary and real parts of dielectric functions of Ni doped MgSiP{sub 2}. For further investigation of the optical properties the reflectivity, refractive index, extinction coefficient and electron energy loss function are also predicted. Our obtained results indicate that the lattice constants, electronic band structure and optical properties of this compound are dependent on the substitution concentration of Ni.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Crystal structure and thermal expansion of LaCr{sub 1-x}Mg{sub x}O{sub 3}, 0 < x {<=} 0.25

Highlights: Black-Right-Pointing-Pointer Homogeneity range for LaCr{sub 1-x}Mg{sub x}O{sub 3} with orthorhombic perovskite structure is x {<=} 0.25. Black-Right-Pointing-Pointer First order OR phase transition occurs at 260-311 Degree-Sign C for LaCr{sub 1-x}Mg{sub x}O{sub 3}, 0{<=} x {<=}0.25. Black-Right-Pointing-Pointer TEC for high-temperature rhombohedral phase increases with magnesium content. -- Abstract: Solid solution LaCr{sub 1-x}Mg{sub x}O{sub 3}, 0 < x {<=} 0.25 was prepared by heating stoichiometric amounts of appropriate oxides in air at 1400 Degree-Sign C, 48 h. At room temperature it crystallizes in orthorhombically distorted GdFeO{sub 3}-type structure (a Almost-Equal-To {radical}2 Multiplication-Sign a{sub per}; b Almost-Equal-To {radical}2 Multiplication-Sign a{sub pe}; c Almost-Equal-To 2 Multiplication-Sign a{sub per}, where a{sub per} - perovskite subcell parameter). High-temperature X-ray powder diffraction (HT XRPD) and dilatometry revealed first order phase transition to rhombohedral perovskite phase (R-3c, a Almost-Equal-To {radical}2 Multiplication-Sign a{sub per}, c Almost-Equal-To 2{radical}3 Multiplication-Sign a{sub per}) at 260-311 Degree-Sign C (OR phase transition). Crystal structures of room-temperature orthorhombic and high-temperature rhombohedral phases for LaCr{sub 0.75}Mg{sub 0.25}O{sub 3} were refined using HT XRPD data. Temperature of OR phase transition increases gradually with increasing of magnesium content. Low-temperature orthorhombic phase exhibits TEC lower in comparison with high-temperature rhombohedral one (e.g. for LaCr{sub 0.85}Mg{sub 0.15}O{sub 3} TEC(O) = 8.8 ppm K{sup -1}; TEC(R) = 11.6 ppm K{sup -1}). TEC for rhombohedral phase increases with increasing magnesium content from 10.4 ppm K{sup -1} for LaCr{sub 0.95}Mg{sub 0.05}O{sub 3} to 12.1 ppm K{sup -1} for LaCr{sub 0.75}Mg{sub 0.25}O{sub 3}.

36 MATERIALS SCIENCE↗