Magnetic/structural diagram, chemical composition-dependent magnetocaloric effect in self-doped antipervoskite compounds Sn1−xCMn3+x (0≤x≤0.40)

The effects of Mn substitutions on the crystal structure, magnetic properties, and magnetocaloric effect (MCE) of antiperovskite Sn_1−xCMn_3+x (0≤x≤0.40) have been investigated detailedly. Both the Curie temperature (T_C) and the magnetizations at 40 kOe decrease with increasing x firstly for x≤0.10, and then increase with increasing x further. The type of magnetic transition changes from first-order to second-order around x=0.10 with increasing x. Chemical composition-dependent MCE is also studied around T_C. With increasing x, the maximal magnetic entropy changes decrease and the magnetic phase transitions broaden. Accordingly, the relative cooling power (RCP) increases with increasing x, reaching the largest values of ∼0.56 J/cm³ (∼75 J/kg) and ∼1.66 J/cm³ (∼221 J/kg) with the magnetic changes of 20 kOe and 48 kOe, respectively. Considering the large RCP, inexpensive, and innoxious raw materials, these serial samples Sn_1−xCMn_3+x are suggested to be potential room-temperature magnetic refrigerant materials.     

Magnetic properties of YFe12−xMox compounds and magnetocaloric effect of YFe9.5Mo2.5

The characterization and magnetic properties of YFe_12−xMo_x (x=2.0, 2.5 and 3.0) with the ThMn₁₂-type structure, and the magnetocaloric effect of YFe_9.5Mo_2.5 were investigated. A directional growth was observed in YFe₁₀Mo₂ alloy. A broad peak in the zero-field-cooling (ZFC) magnetization curve of the YFe_12−xMo_x compounds is ascribed to the existence of ferromagnetic clusters with different site moments and scattered orientations of the moments. The broad range of the peak is reduced with increasing Mo content. A weak peak is observed near 190 K in the ZFC curve of YFe₉Mo₃, which is associated with the 8i sites being mostly occupied by Mo atoms. YFe_9.5Mo_2.5 has a magnetic entropy change of −1.09 J/kg K for a field change of 5 T at 277 K.     

Magnetic phase transitions of antiperovskite Mn3−xFexSnC (0.5≤x≤1.3)

The magnetization and electrical resistivity of Mn_3−xFe_xSnC (0.5≤x≤1.3) were measured to investigate the behavior of the complicated magnetic phase transitions and electronic transport properties from 5 to 300 K. The results obtained demonstrate that Fe doping at the Mn sites of Mn₃SnC induces a more complicated magnetic phase transition than that in its parent phase Mn₃SnC from a paramagnetic (PM) state to a ferrimagnetic (FI) state consisting of antiferromagnetic (AFM) and ferromagnetic (FM) components, while, with the change of Fe-doped content and magnetic field, there is a competition between the AFM component and FM component in the FI state. Both the Curie temperature (T_C) and the saturated magnetization M_s increase with increasing x. The FM component region becomes broader with further increasing Fe-doped content x. The external magnetic field easily creates a saturated FM state (and increased T_C) when . Fe doping quenches the negative thermal expansion (NTE) behavior from 200 to 250 K reported in Mn₃SnC.     

Phase stability,elastic, electronic,thermal and optical properties of Ti3Al1−xSixC2 (0≤x≤1): First principle study

The structural parameters with stability upon Si incorporation and elastic, electronic, thermodynamic and optical properties of Ti₃Al_1−xSi_xC₂ (0≤x≤1) are investigated systematically by the plane wave pseudopotential method based on the density functional theory (DFT). The increase of some elastic parameters with increasing Si-content renders the alloys to possess higher compressive and tensile strength. The Vickers hardness value obtained with the help of Mulliken population analysis increases as x is increased from 0 to 1. The solid solutions considered are all metallic with valence and conduction bands, which have a mainly Ti 3d character, crossing the Fermi level. The temperature and pressure dependences of bulk modulus, normalized volume, specific heats, thermal expansion coefficient, and Debye temperature are all obtained through the quasi-harmonic Debye model with phononic effects for T=0−1000 K and P=0−50 GPa. The obtained results are compared with other results available. Further an analysis of optical functions for two polarization vectors reveals that the reflectivity is high in the visible–ultraviolet region up to ∼10.5 eV region showing promise as a good coating material.     

Theoretical research on optical properties and quantum efficiency of Ga1−xAlxN photocathodes

In order to design the optimal component structure of transmission-mode (t-mode) Ga_1−xAl_xN photocathode, the optical properties and quantum efficiency of Ga_1−xAl_xN photocathodes are simulated. Based on thin film principle, optical model of t-mode Ga_1−xAl_xN photocathodes is built. And the quantum efficiency formula is put forward. Results show that Ga_1−xAl_xN photocathodes can satisfy the need of detectors with “solar blind” property when the Al component is bigger than 0.375. There is an optimal thickness of Ga_1−xAl_xN layer to get highest quantum efficiency, and the optimal thickness is 0.3 μm. There is close relation between absorptivity and quantum efficiency, which is in good agreement with the “three-step” model. This work gives a reference for the experimental research on the Ga_1−xAl_xN photocathodes.     

Study on the electronic structure and optical properties of different Al constituent Ga1−xAlxAs

Using quantum mechanics GASTEP software package based on the first principle density function theory, the electronic structure and optical properties of Ga_1−xAl_xAs at different Al constituent are calculated. Result shows that with the increase of Al constituent, the band gap of Ga_1−xAl_xAs increases and varies from direct band gap to indirect band gap; the absorption band edge and the absorption peak move to high-energy side; the static reflectivity decreases. With the increasing of the incident photon energy, Ga_1−xAl_xAs shows metal reflective properties in certain energy range. With the increasing of Al constituent, static dielectric constant decreases and the intersection of dielectric function and the x-axis move towards high-energy side; the peak of energy loss function move to low-energy side and the peak value reduces.     

Magnetic properties of the Lu2Fe17−xMnx single crystals

Magnetic properties of the single-crystalline Lu₂Fe_17−xMn_x compounds, in which x=0, 0.5, and 2, with the Th₂Ni₁₇-type crystal structure are reported. The Lu₂Fe_17−xMn_x compounds with x=0 and 0.5 are ferromagnets at low temperatures and antiferromagnets at high temperatures. The compound with x=2 is always a ferromagnet. The easy-plane magnetic anisotropy in the Lu₂Fe_17−xMn_x ferromagnets drastically weakens with increase in Mn content up to x=2. The temperature dependence of the first magnetic anisotropy constant was obtained and compared with the single-ion model prediction.     

Magnetic/structural phase diagram and enhanced giant magnetoresistance in Zn-doped antiperovskite compound Ga1−xZnxCMn3

The structural, magnetic and electrical transport properties of Zn-doped antiperovskite compounds Ga_1−xZn_xCMn₃ (0≤x≤0.30) have been investigated. After partial substitution of Zn for Ga, the Curie temperature increases monotonously and the ground antiferromagnetic (AFM)-ferromagnetic intermediate (FI) phase transition is gradually suppressed. With increasing the doping level x, the saturated magnetizations decreases gradually firstly for x≤0.20, then increases with increasing x. The electrical transport properties of Ga_1−xZn_xCMn₃ are studied at different magnetic fields. Enhanced giant magnetoresistance (GMR) was observed around the AFM-FI transition. With increasing x, the maximal values and peak widths of GMR increase. Particularly, for x=0.20, GMR reaches a maximum value of 75%, spanning a temperature range of 80 K at 50 kOe and displays the behavior of strongly depending on the magnetization history. The possible origins are discussed.     

The magnetic properties of oxide spinel Li0.5Fe2.5−2xAlxCrxO4 solid solutions

The exchange interactions (J_BB and J_AB are the intra and the inter-sublattice exchange interactions between neighbouring spins, respectively) are obtained by using the general expressions of canting angle and critical temperature obtained by mean field theory of Li_0.5Fe_2.5−2xAl_xCr_xO₄. The expression of magnetic energy of Li_0.5Fe_2.5−2xAl_xCr_xO₄ is obtained for different spin configurations and dilution x. The saturation magnetisation of Li_0.5Fe_2.5-2xAl_xCr_xO₄ is obtained with different values of dilution x. The magnetic phase diagram of Li_0.5Fe_2.5-2xAl_xCr_xO₄ materials is obtained by high temperature series expansions (HTSEs). The critical exponent associated with the magnetic susceptibility of Li_0.5Fe_2.5−2xAl_xCr_xO₄ is deduced.     

Synthesis and ferroelectric properties of bismuth layer-structured (Bi7−xSrx)(Fe3−xTi3+x)O21 solid solutions

Bismuth layer-structured (Bi_7−xSr_x)(Fe_3−xTi_3+x)O₂₁ (BSFT) ceramics were synthesized and the ferroelectric properties and crystal structure were investigated. X-ray powder diffraction profiles and refinement of the lattice parameters indicated single phase BSFT was obtained in the composition range 0-1.5. The lattice parameter b of BSFT remained almost constant, while a slight decrease in the lattice parameter a was observed by the Sr and Ti substitution for Bi and Fe, respectively, which indicated an increase in the orthorhombicity. The dependence of the BSFT lattice parameter on temperature implied a phase transition from the orthorhombic to the tetragonal phase, which was in good agreement with the Curie temperature. The remnant polarization P_r, of BSFT was significantly improved by the Sr and Ti substitution for Bi and Fe, and ranged from 9 to 16 μC/cm², although no remarkable variation in the coercive field E_c was observed. As a result, a well-saturated P-E hysteresis loop of BSFT ceramic was obtained at x=0.5 with a P_r of 30 μC/cm at an applied voltage of 280 kV/cm.     

Near room temperature magnetocaloric properties of melt-spun Gd100−xBx (x=0, 5, 10, 15, and 20 at%) alloys

The magnetocaloric properties of melt-spun Gd-B alloys were examined with the aim to explore their potential application as magnetic refrigerants near room temperature. A series of Gd_100−xB_x (x=0, 5, 10, 15, and 20 at%) alloys were prepared by melt spinning. With the decrease in Gd/B ratio, Curie temperature (T_C) remains constant at ∼293 K, and saturation magnetization, at 275 K, decreases from ∼100 to ∼78 emu/g. Negligible magnetic hysteresis was observed in these alloys. The peak value of magnetic entropy change, (−ΔS_M)_max, decreased from ∼9.9 J/kg K (0-5 T) and ∼5.5 J/kg K (0-2 T) for melt-spun Gd to ∼7.7 J/kg K (0-5 T) and ∼4.0 J/kg K (0-2 T), respectively for melt-spun Gd₈₅B₁₅ and Gd₈₀B₂₀ alloys. Similarly, the refrigeration capacity (q) decreased monotonously from ∼430 J/kg (0-5 T) for melt-spun Gd to ∼330 J/kg (0-5 T) for melt-spun Gd₈₀B₂₀ alloy. The near room temperature magnetocaloric properties of melt-spun Gd_100−xB_x (0≤x≤20) alloys were found to be comparable to few first-order transition based magnetic refrigerants.     

Conductivity and sintering property of LaNi1 − xFexO3 ceramics prepared by Pechini method

Preparation of LaNi_1 − xFe_xO₃, which is one of the candidate materials of solid oxide fuel cell cathode, current collecting layer and interconnect coating was examined with Pechini method and solid state reaction method. Single phase LaNi_1 − xFe_xO₃ with large Ni content has successfully been prepared by low temperature sintering as 750 °C with Pechini method, whereas large amount of raw materials has remained with solid state reaction method by sintering at the same temperature. It can be ascribed to more homogenous cation distribution in raw powder material prior to sintering with Pechini method. It has also been revealed that LaNi_1 − xFe_xO₃ with x lower than 0.3 is thermodynamically unstable in air above 1000 °C. LaNi_0.6Fe_0.4O₃ showed superior property as cathode material with high electrical conductivity, thermodynamic stability and appropriate sintering property.     

Optoelectronic properties of Cu1−xPtxFeO2 (0 ≤ x ≤ 0.05) delafossite for p-type transparent conducting oxide

The samples of Cu_1−xPt_xFeO₂ (0 ≤ x ≤ 0.05) delafossite have been synthesized by solid-state reaction method to investigate their optical and electrical properties. The properties of electrical resistivity and Seebeck coefficient were measured in the high temperature ranging from 300 to 960 K, and the Hall effect and the optical properties were measured at room temperature. The obtained results of Seebeck showed the samples are p-type conductor. The optical properties at room temperature exhibited the samples are transparent visible light material with optical direct gap 3.45 eV. The low electrical resistivity, hole mobility and carrier density at room temperature displayed value ranging from 0.29 to 0.08 Ω cm, 1.8 to 8.6 cm²/V s and 1.56 × 10¹⁸ to 4.04 × 10¹⁹ cm⁻³, respectively. The temperature range for transparent visible light is below 820 K because the direct energy gap contains value above 3.1 eV. Consequently, the Cu_1−xPt_xFeO₂ delafossite enhance performance for materials of p-type transparent conducting oxide (TCO) with low electrical resistivity.     

Fabrication and characterization of Zn1−xAlxO nanoparticles by DC arc plasma

In this paper we have introduced a simple method for the fabrication of aluminum doped zinc oxide (AZO) nanoparticles. The Zn_1−xAl_xO nanoparticles with different concentrations of Al (x=0.01, 0.03, 0.06, 0.09, 0.12) were fabricated successfully by this method. The samples were analyzed by the use of several techniques such as SEM, EDX, XRD, PL and UV-vis spectroscopy. The SEM images showed that the fabricated nanoparticles had spherical shapes. The XRD patterns of the samples indicated that the Al atoms substituted in the Zn positions in the crystal lattice of ZnO and there were some changes in the lattice parameters. A blue shift in the λ_max of the absorption and a red shift in the λ_max of the emission were observed. The results also indicated that the amount of shifts had a direct relationship with the changes in the lattice parameters.     

Luminescent properties of HTP AgGd1−xW2O8:Eux and AgGd1−x(W1−yMoy)2O8:Eux phosphor for white LED

Intense red phosphors, AgGd_1−xEu_x(W_1−yMo_y)₂O₈ (x=0.0-1.0, y=0.0-1.0), have been synthesized through traditional solid-state reaction and characterized by X-ray diffraction (XRD) and photoluminescence (PL). XRD results reveal that AgGd_1−xEu_xW₂O₈ synthesized at 1000 °C has a tetragonal crystal structure, which is named as high temperature phase (HTP) AgGdW₂O₈. All phosphors compositions with Eu³⁺ show red and green emission on excitation either in the charge-transfer or Eu³⁺ levels. Analysis of the emission spectra with different Eu³⁺ concentrations reveal that the optimum dopant concentration for Eu³⁺ is x=0.6 in the HTP AgGd_1−xEu_xW₂O₈ (x=0.0-1.0). Studies on the AgGd_0.4Eu_0.6(W_1−yMo_y)₂O₈ (y=0.0-1.0) and AgGd_1−xEu_x(W_0.7Mo_0.3)₂O₈ (x=0.0-1.0) show that the emission intensity is maximum for compositions with y=0.3 and x=0.5, respectively, and a decrease in emission intensity is observed for higher y or x values. The Mo⁶⁺ and Eu³⁺ co-doped AgGd(WO₄)₂ phosphors show higher emission intensity in comparison with the singly Eu³⁺-doped AgGd(WO₄)₂ in UV region. The intense emission of the tungstate/molybdate phosphors under 394 and 465 nm excitations, respectively, suggests that these materials are promising candidates as red-emitting phosphors for near-UV/blue GaN-based white LED for white light generation.     

BiFeO3/Zn1−xMnxO bilayered thin films

BiFeO₃/Zn_1−xMn_xO (x = 0-0.08) bilayered thin films were deposited on the SrRuO₃/Pt/TiO₂/SiO₂/Si(1 0 0) substrates by radio frequency sputtering. A highly (1 1 0) orientation was induced for BiFeO₃/Zn_1−xMn_xO. BiFeO₃/Zn_1−xMn_xO thin films demonstrate diode-like and resistive hysteresis behavior. A remanent polarization in the range of 2P_r ∼ 121.0-130.6 μC/cm² was measured for BiFeO₃/Zn_1−xMn_xO. BiFeO₃/Zn_1−xMn_xO (x = 0.04) bilayer exhibits a highest M_s value of ∼15.2 emu/cm³, owing to the presence of the magnetic Zn_0.96Mn_0.04O layer with an enhanced M_s value.     

Structural,magnetic and magnetocaloric properties of AMn1−xGaxO3 compounds with 0≤x≤0.2

Structural, magnetic and magnetocaloric properties of manganites series with the AMn_1−xGa_xO₃ (A=La_0.75Ca_0.08Sr_0.17 and x=0, 0.05, 0.1 and 0.2) composition have been investigated to shed light on Ga-doping influence. Solid-state reaction method was used for preparation. From XRD study, all samples are found single phase and crystallize in the orthorhombic structure with the Pnma space group. The variation of the magnetization M vs. temperature T, under an applied magnetic field of 0.05 T, reveals a ferromagnetic–paramagnetic transition for all samples. The experimental results indicate that T_C decreases from 336 to 135 K with increasing Ga substitution. Magnetocaloric effect (MCE) was estimated, in terms of isothermal magnetic entropy change (−ΔS_M), using the M(T, μ₀H) data and employing the thermodynamic Maxwell equation. The maximum entropy change and Relative Cooling Power (RCP) show non-monotonic behaviors with increasing the concentration of Gallium. In fact, the maximum value of ΔS_Mmaxof AMn_1−xGa_xO₃ for x=0.00 and 0.2 samples is found to be, respectively, 2.87 and 1.17 J/kg/K under an applied magnetic field change of 2 T. For the same applied magnetic field (μ₀H=2 T), the RCP values are found to vary between 97.58 and 89 J/kg.     

Electronic structure and optical properties of CdSexTe1−x mixed crystals

The band structure and optical properties of the CdSe_xTe_1−x ternary mixed crystals have been studied using the pseudopotential formalism under an improved virtual crystal approximation approach. Quantities such as, energy gaps, band-gap bowing parameters, electron effective mass and dielectric constants are calculated. Our results agree well with the available data in the literature. The composition dependence of all studied quantities has been expressed by quadratic polynomial forms.     

Structural and magnetic properties in Bi1−xRxFeO3 (x=0-1, R=La, Nd, Sm, Eu and Tb) polycrystalline ceramics

A series of rare-earth doped BiFeO₃ samples, Bi_1−xR_xFeO₃ (x=0-1, R=La, Nd, Sm, Eu and Tb), were prepared in this work. X-ray diffraction analysis showed that the structure of rare-earth doped BiFeO₃ was transformed from rhombohedral lattice to orthorhombic one by increasing x. The lattice constants and unit-cell volume decreased with the increasing of the doping content, while both the Néel temperature and magnetization were enhanced. A magnetic phase transition was observed at about 35 K for BiFeO₃. The variation of the magnetization with temperature depended on applied field strength and magnetizing history, which was explained according to the antiferromagnetic exchange interaction between Fe and R sites in Bi_1−xR_xFeO₃(x>0). The magnetocrystalline anisotropy contributed by Fe sublattice gave rise to a large coercivity in Bi_xNd_1−xFeO₃ with an orthorhombic structure.     

Effect of Sr concentration on microstructure and magnetic properties of (Ba1−xSrx)(Ti0.3Fe0.7)O3 ceramics

Fe-doped (Ba_1−xSr_x)TiO₃ ceramics were prepared by solid-state reaction, and ferromagnetism was realized at room temperature. The microstructure and magnetism were modified by the Sr concentration control (0≤x≤75 at%) at a fixed Fe concentration, and the relevant magnetic exchange mechanism was discussed. All the samples are shown to have a single perovskite structure. When increasing the Sr concentration, the phase structure is transformed from a hexagonal perovskite into a cubic perovskite, with a monotonic decrease in lattice parameters induced by ionic size effect. The room-temperature ferromagnetism is expected to originate from the super-exchange interactions between Fe³⁺ on pentahedral and octahedral Ti sites mediated by the O²⁻ ions. The increase in Sr addition modifies two main influencing factors in magnetic properties: the ratio of pentahedral to octahedral Fe³⁺ and the concentration of oxygen vacancies, leading to a gradually enhanced saturation magnetization. The highest value, obtained for Fe-doped (Ba_0.25Sr_0.75)TiO₃, is an order of magnitude higher than that of the Fe-doped BaTiO₃ system with similar Fe concentration and preparation conditions, which may indicate (Ba_1−xSr_x)TiO₃ as a more suitable matrix material for multiferroic research.