Novel BTlGaN semiconducting materials for infrared opto-electronic devices

BTlGaN quaternary alloys are proposed as new semiconductor materials for infrared opto-electronic applications. The structural and opto-electronic properties of zinc blende B_xTl_yGa_1−x−yN alloys lattice matched to GaN with (0 ⩽ x and y ⩽ 0.187) are studied using density functional theory (DFT) within full-potential linearized augmented plane wave (FP-LAPW) method. The calculated structural parameters such as lattice constant a₀ and bulk modulus B₀ are found to be in good agreement with experimental data using the new form of generalized gradient approximation (GGA-WC). The band gaps of the compounds are also found very close to the experimental results using the recently developed Tran–Blaha-modified Becke–Johnson (TB-mBJ) exchange potential. A quaternary B_xTl_yGa_1−x−yN is expected to be lattice matched to the GaN substrate with concentrations x = 0.125 and y = 0.187 allows to produce high interface layers quality. It has been found that B incorporation into BTlGaN does not significantly affect the band gap, while the addition of dilute Tl content leads to induce a strong reduction of the band gap, which in turn increases the emission wavelengths to the infrared region. The refractivity, reflectivity and absorption coefficient of these alloys were investigated. BTlGaN/GaN is an interesting new material to be used as active layer/barriers in quantum wells suitable for realizing advanced Laser Diodes and Light-Emitting Diodes as new sources of light emitting in the infrared spectrum region.     

Investigation of defect-related optical properties in AlxInyGa1−x−yN quaternary alloys with different Al/In ratios

Al_xIn_yGa_1?x?yN quaternary alloys with different ratios of Al/In were grown by metal-organic chemical vapor deposition on GaN/Al₂O₃ substrates. The structural and emission properties of the as-grown samples were investigated, respectively, by high-resolution X-ray diffraction and photoluminescence (PL) measurements. The PL emission character is related to the two prominent quenching bands, which have been determined to be located at around 1.1 eV and 1.7 eV above the valence band, respectively, by the method of optical quenching of photoconductivity. PL emission is most intense when the Al/In ratio is 7.5 for the Al_xIn_yGa_1?x?yN layer. In addition, a stronger quenching phenomenon with Al/In ratio of 5.0 in Al_xIn_yGa_1?x?yN is observed in accordance with a reduction of the intensity of Al_xIn_yGa_1?x?yN-related emission peak.     

Luminescent properties of red-emitting LiSr4B3O(9−3x/2)Nx:Eu2+ phosphor for white-LEDs

An Eu²⁺-activated oxynitride LiSr_(4?y)B₃O_(9?3x/2)N_x:yEu²⁺ red-emitting phosphor was synthesized by solid-state reactions. The synthesized phosphor crystallized in a cubic system with space group Ia–3d. The LiSr₄B₃O_(9?3x/2)N_x:Eu²⁺ phosphors exhibited a broad red emission band with a peak at 610 nm and a full width at half maximum of 106 nm under 410 nm excitation, which is ascribed to the 4f⁶5d¹→4f⁷ transition of Eu²⁺. The optimal doped nitrogen concentration was observed to be x=0.75. The average decay times of two different emission centers were estimated to be 568 and 489 ns in the LiSr_3.99B₃O_8.25N_0.5:0.01Eu²⁺ phosphors, respectively. Concentration quenching of Eu²⁺ ions occurred at y=0.07, and the critical distance was determined as 17.86 Å. The non-radiative transitions via dipole–dipole interactions resulted in the concentration quenching of Eu²⁺-site emission centers in the LiSr₄B₃O₉ host. These results indicate LiSr₄B₃O_(9?3x/2)N_x:Eu²⁺ phosphor is promising for application in white near-UV LEDs.     

Phase formation in undercooled NdFeB alloy droplets

Small droplets of Nd_xFe_100−1.5xB_0.5x alloys (x=11.8–15) were undercooled and solidified using the drop tube technique for the purpose of studying metastable phase formation in this technically important alloy system. It was found that primary γ-Fe phase has been suppressed in most of the droplets due to significant undercooling levels achieved prior to solidification. Consequently, the primary crystallization either of metastable Nd₂Fe₁₇B_y (y≈1) phase or of Nd₂Fe₁₄B phase has been favored. The former occurs predominantly to low Nd alloys (x=11.8–13), while the latter prevails in Nd-rich alloys (x=14–15). By means of thermomagnetic analysis and powder X-ray diffraction analysis, it was determined that the metastable Nd₂Fe₁₇B_y phase has a Curie temperature of about 100°C and a hexagonal structure with lattice parameters as a=0.496 and c=0.416 nm.     

The effect of compositional disorder on electronic band structure in GaxIn1 − xAsySb1 − yalloys lattice matched to GaSb

A pseudopotential formalism coupled with the virtual crystal approximation are applied to study the effect of compositional disorder upon electronic band structure of cubic Ga_xIn_1 − xAs_ySb_1 − yquarternary alloys lattice matched to GaSb. The effects of compositional variations are properly included in the calculations. Our theoretical results show that the compositional disorder plays an important role in the determination of the energy band structure of Ga_xIn_1 − xAs_ySb_1 − y/GaSb and that the bowing parameter is dominated by the group V-anion-based sublattice. Moreover, the absorption at the fundamental optical gaps is found to be direct within a whole range of the x composition.     

Synthesis and characterization of layered Li1−x(Ni0.5Co0.5)1−yFeyO2(0 ≤ (1 − x) ≤ 1 and 0 ≤ y ≤ 0.2) cathodes

Layered Li(Ni_0.5Co_0.5)_1−yFe_yO₂ cathodes with 0 ≤ y ≤ 0.2 have been synthesized by firing the coprecipitated hydroxides of the transition metals and lithium hydroxide at 700 °C and characterized as cathode materials for lithium ion batteries to various cutoff charge voltages (up to 4.5 V). While the y = 0.05 sample shows an improvement in capacity, cyclability, and rate capability, those with y = 0.1 and 0.2 exhibit a decline in electrochemical performance compared to the y = 0 sample. Structural characterization of the chemically delithiated Li_1−x(Ni_0.5Co_0.5)_1−yFe_yO₂ samples indicates that the initial O3 structure is maintained down to a lithium content (1 − x) ≈ 0.3. For (1 − x) < 0.3, while a P3 type phase is formed for the y = 0 sample, an O1 type phase is formed for the y = 0.05, 0.1 and 0.2 samples. Monitoring the average oxidation state of the transition metal ions with lithium contents (1 − x) reveals that the system is chemically more stable down to a lower lithium content (1 − x) ≈ 0.3 compared to the Li_1−xCoO₂ system. The improved structural and chemical stabilities appear to lead to better cyclability to higher cutoff charge voltages compared to that found before with the LiCoO₂ system.     

Mechanical impedances distributed at the fingers and palm of the human hand in three orthogonal directions

The objective of this study is to investigate the basic characteristics of the three axis mechanical impedances distributed at the fingers and palm of the hand subjected to vibrations along three orthogonal directions (x_h, y_h, and z_h). Seven subjects participated in the experiment on a novel three-dimensional (3-D) hand–arm vibration test system equipped with a 3-D instrumented handle. The total impedance of the entire hand–arm system was obtained by performing a sum of the distributed impedances. Two major resonances were observed in the impedance data in each direction. For the hand forces (30 N grip and 50 N push) and body postures applied in this study, the first resonance was in the range of 20–40 Hz, and it was primarily observed in the impedance at the palm. The second resonance was generally observed in the impedance at the fingers, while the resonance frequency varied greatly with the subject and vibration direction, ranging from 100 to 200 Hz in the x_h direction, 60 to 120 Hz in the y_h direction, and 160 to 300 Hz in the z_h direction. The impedance at the palm was greater than that at the fingers below a certain frequency in the range of 50–100 Hz, depending on the vibration direction. At higher frequencies, however, the impedance magnitude at the fingers either approached or exceeded that at the palm. The impedance in the z_h direction was generally higher than those in the other directions, but it became comparable with that in the x_h direction at frequencies above 250 Hz, while the impedance in the y_h direction was the lowest. The frequency dependencies of the vibration power absorptions for the entire hand–arm system in the three directions were different, but their basic trends were similar to that of the frequency weighting defined in the current ISO standard. The implications of the results are discussed.     

Two dimensional vortex structures in a superconductor slab at low temperatures

The dynamics of a two dimensional chain like structure of vortices is studied in the model of nonlinear time dependent Ginzburg–Landau equations (TDGL). The transition between different linear chains of vortices in a superconducting homogeneous slab with both surfaces in contact with a thin layer of metallic material is analyzed. The magnetization curve, vortex number, vortex configurations and modulus of the order parameter are studied as a function of the external magnetic field. We show how these vortex configurations are affected by the extrapolation length b (de Gennes boundary conditions), Ψ due to the proximity effects in a mesoscopic sample of area d_x × d_y, where d_y = 60ξ(0) and d_x varies discretely from 30ξ(0) to 12ξ(0). Possible connection with recent theoretical results in a two dimensional system of charged particles is discussed.     

Dielectric and piezoelectric properties of (Bi1−x−yNdxNa1−y)0.5BayTiO3 lead-free ceramics

New lead-free (Bi_1−x−yNd_xNa_1−y)_0.5Ba_yTiO₃ ceramics were prepared by a conventional ceramic technique and their dielectric and piezoelectric properties were studied. X-ray diffraction studies reveal that Nd³⁺ and Ba²⁺ diffuse into the Bi_0.5Na_0.5TiO₃ lattices to form a new solid solution with a pure perovskite structure, and a morphotropic phase boundary (MPB) of rhombohedral and tetragonal phases is formed at 0.04 < y < 0.10. The partial substitutions of Nd³⁺ and Ba²⁺ decrease effectively the coercive field E_c and increase significantly the remanent polarization P_r. Because of lower E_c, larger P_r and the formation of the MPB, the piezoelectric properties of the ceramics are significantly enhanced at x/y = 0.02/0.06: d₃₃ = 150 pC/N and k_p = 30.5%. The ceramics exhibit relaxor characteristic, which is probably resulted from the cation disordering in the 12-fold coordination sites. The depolarization temperature T_d shows a strong compositional dependence and reaches a minimum value at the MPB. The temperature dependences of the ferroelectric and dielectric properties suggest that the ceramics may contain both the polar and non-polar regions near the depolarization temperature T_d, which cause the polarization hysteresis loop become deformed near/above T_d.     

The synthesis and properties of nanocrystalline electrode materials by mechanical alloying

In this work, we have experimentally studied the structure and electrochemical properties of nanocrystalline TiFe- and LaNi₅-type alloys. These materials were prepared by mechanical alloying (MA) followed by annealing. The properties of hydrogen host materials can be modified substantially by alloying to obtain the desired storage characteristics. It was found that the respective replacement of Fe in TiFe by Ni and/or by Cr, Co, Mo, Zr improved not only the discharge capacity but also the cycle life of these electrodes. In the nanocrystalline TiFe_0.25Ni_0.75, powder discharge capacity up to 155 mA h g⁻¹ was measured (at 40 mA g⁻¹ discharge current). On the other hand, a partial substitution of Ni by Al or Mn in LaNi_5−xM_x alloy leads to an increase in discharge capacity. The alloying elements such as Al, Mn and Co greatly improved the cycle life of LaNi₅ material. For example, in the nanocrystalline LaNi_3.75Mn_0.75Al_0.25Co_0.25 powder, discharge capacity up to 258 mA h g⁻¹ was measured (at 40 mA g⁻¹ discharge current). The studies show, that electrochemical properties of Ni–MH batteries are the function of the microstructure and the chemical composition of used electrode materials.     

Influence of growth morphology on the Néel temperature of CrRu thin films and heterostructures

Dimensionality effects on epitaxial and polycrystalline Cr_1?xRu_x alloy thin films and in Cr/Cr–Ru heterostructures are reported. X-ray analysis on Cr_0.9965Ru_0.0035 epitaxial films indicates an increase in the coherence length in growth directions (1 0 0) and (1 1 0) with increasing thickness (d), in the range 20≤d≤300 nm. Atomic force microscopy studies on these films shows pronounced vertical growth for d>50 nm, resulting in the formation of columnar structures. The Néel temperatures (T_N) of the Cr_0.9965Ru_0.0035 films show anomalous behaviour as a function of d at thickness d≈50 nm. It is interesting to note that this thickness corresponds to that for which a change in film morphology occurs. Experiments on epitaxial Cr_1?xRu_x thin films, with 0≤x≤0.013 and d=50 nm, give T_N–x curves that correspond well with that of bulk Cr_1?xRu_x alloys. Studies on Cr/Cr_0.9965Ru_0.0035 superlattices prepared on MgO(1 0 0), with the Cr layer thickness varied between 10 and 50 nm, keeping the Cr_0.9965Ru_0.0035 thickness constant at 10 nm, indicate a sharp decrease in T_N as the Cr separation layers reaches a thickness of 30 nm; ascribed to spin density wave pinning in the Cr layers for d<30 nm by the adjacent CrRu layers.     

Structural chemistry and zeolitic properties of mixed oxalates with two open-framework types based on eight coordinate metals

Two families of open-framework materials have been obtained from the assembly of MO₈ polyhedra and oxalate groups as building blocks. The compounds can be formulated as [MM′(C₂O₄)₄]²⁻(M″_y)²⁺ · (4 + x)H₂O (y is 2 for monovalent M″ metals and 1 for divalent M″ metals), in which the sum of the valences of the two metals M and M′ involved in the anionic framework is six. The water molecules and counter cations, located in the voids of the structure, lead to zeolitic or cation dynamic properties.     

Effect of doping on cohesive and thermophysical properties of MgB2

The effects of doping Al and Mn on the cohesive and thermophysical properties of MgB₂ have been investigated using a Rigid Ion Model (RIM). The interatomic potential of this model includes contributions from the long-range Coulomb attraction and the short-range overlap repulsion and the van der Waals attraction. This model has been applied to describe the temperature dependence of the specific heat of MgB₂, Mg_1−xAl_xB₂ (x = 0.1–0.9) and Mg_1−xMn_xB₂ (x = 0.01–0.04) in the temperature range 5 K ⩽ T ⩽ 1000 K. The calculated results on cohesive energy (ϕ), Bulk modulus (B_T), molecular force constant (f), Restrahalen frequency (ν₀), Debye temperature (Θ_D) and Gruneisen parameter (γ) are also reported for these materials. Our results on Bulk modulus, Restrahalen frequency and Debye temperature are closer to the available experimental data. The comparison between our calculated and available experimental results on the specific heat at constant volume for MgB₂ and Mg_1−xAl_xB₂ (x = 0.1–0.4), particularly, at lower temperatures has shown almost an excellent agreement. The trend of variation of the specific heat with temperature is more or less similar in pure and doped MgB₂.     

A ceria layer as diffusion barrier between LAMOX and lanthanum strontium cobalt ferrite along with the impedance analysis

A thin interlayer of samarium doped ceria (SDC) is applied as diffusion barrier between La_1 ? xSr_xCo_yFe_1 ? yO₃ x = 0.1–0.4, y = 0.2–0.8 (LSCF) cathode and La_1.8Dy_0.2Mo_1.6W_0.4O₉ (LDMW82) electrolyte to obstruct Mo–Sr diffusion and solid state reaction in the intermediate temperature range of SOFC. We demonstrate the effectiveness of the diffusion barrier through contrasting the clearly defined interfaces of LSCF/SDC/LDMW82 against a rugged growing product layer of LSCF/LDMW82 in 800 °C thermal annealing, and analyze the product composition and the probable new phase. In addition, the measured polarization resistance is considerably lower for the half-cell with a diffusion barrier. Therefore, the electrochemical performance of the LSCF cathode is investigated on the SDC-protected LDMW82. The cell with LSCF (x = 0.4) persistently outperforms the one with x = 0.2 in polarization resistance because of its small low-frequency contribution. The activation energy of polarization resistance is also lower for La_0.6Sr_0.4Co_yFe_1 ? yO₃ (112–135 kJ/mol), than that for La_0.8Sr_0.2Co_yFe_1 ? yO₃ (156–164 kJ/mol). La_0.6Sr_0.4Co_yFe_1 ? yO₃ y = 0.4–0.8 is the proper composition for the cathode interfaced to SDC/LDMW82.     

Reduction of thin-film ceria on Pt(111) by supported Pd nanoparticles probed with resonant photoemission

Local defects present in CeO_2 ? x films result in a mixture of Ce³⁺ and Ce⁴⁺ oxidation states. Previous studies of the Ce 3d region with XPS have shown that depositing metal nanoparticles on ceria films causes further reduction, with an increase in Ce³⁺ concentration. Here, we compare the use of XPS and resonant photoemission spectroscopy (RESPES) to estimate the concentration of Ce³⁺ and Ce⁴⁺ in CeO_2 ? x films grown on Pt (111), and the variation of this concentration as a function of Pd deposition. Due to the nature of the electronic structure of CeO_2 ? x, resonant peaks are observed for the 4d–4f transitions when the photon energy matches the resonant energy; (hν = 121.0 eV) for Ce³⁺ and (hν = 124.5 eV) for Ce⁴⁺. This results in two discrete resonant photoemission peaks in valence band spectra. The ratio of the difference of these peaks with off-resonance scans gives an indication of the relative contribution of Ce³⁺. Results from RESPES indicate reduction of CeO_2 ? x on deposition of Pd, confirming earlier findings from XPS studies.     

Sensitivity enhancement for a multimode fiber sensor with an axisymmetric metal grating layer

This paper proposes a novel design for a surface plasmon resonance (SPR) fiber sensor with an axisymmetric sub-wavelength metal grating layer. The relationship between the sensor performance (the sensitivity S and the quality factor Q of the SPR dip) and the characteristic parameters are investigated. Numerical simulation results show that the proposed sensor can achieve a maximum sensitivity of 13,000 nm/RIU (refractive index unit) for a refractive index range from 1.3 to 1.4.     

Composition and lattice mismatch dependent dielectric constants and optical phonon modes of InAs1−x−ySbxPy quaternary alloys

Based on the pseudopotential formalism under the virtual crystal approximation, the dielectric and lattice vibration properties of zinc-blende InAs_1−x−ySb_xP_y quaternary system under conditions of lattice matching and lattice mismatching to InAs substrates have been investigated. Generally, a good agreement is noticed between our results and the available experimental and theoretical data reported in the literature. The variation of all features of interest versus either the composition parameter x or the lattice mismatch percentage is found to be monotonic and almost linear. The present study provides more opportunities to get diverse high-frequency and static dielectric constants, longitudinal and transversal optical phonon modes and phonon frequency splitting by a proper choice of the composition parameters x and y (0 ⩽ x ⩽ 0.30, 0 ⩽ y ⩽ 0.69) and/or the lattice mismatch percentage.     

Preparation,characterization and electrical property of Mn-doped ceria-based oxides

Manganese-doped ceria-based oxides, Ce_1−xMn_xO_2−δ (0.05 ≤ x ≤ 0.3) and Ce_1−x−yGd_xMn_yO_2−δ˙ (0.05 ≤ x≤ 0.2, 0.05 ≤ y ≤ 0.25) were synthesized, and crystal phase analysis by XRD and measurements of electrical properties were performed. Solubility limit of Mn in Ce_1−xMn_xO_2−δ˙ seemed to be between 5 mol% and 10 mol% and Mn₃O₄ was the main by-product above the solubility limit in the case of heat treatment at 1300 °C. Judging from the oxygen partial pressure dependence of total conductivity and emf measurements, Ce_1−xMn_xO_2−δ˙ is a single-phase mixed conductor within the composition below the solubility limit, and when the composition of Mn exceeds the solubility limit, it becomes the dual-phase mixed conductor of Ce_1−xMn_xO_2−δ˙ and Mn₃O₄. The doing of Mn in gadlia-doped ceria, Ce_1−x−yGd_xMn_yO_2−δ˙ (0.05 ≤ x ≤ 0.2, 0.05 ≤ y ≤ 0.25), was more difficult than that in CeO₂ presumably due to the preferential reaction between Gd and Mn to give GdMnO₃ to the GDC solid solution formation, and the Mn doping seems not to be so effective in preparing the mixed ionic–electronic conductor based on GDC.     

Diffusion-promoted-desorption mechanism for D2 desorption from Si(100) surfaces

Temperature-programmed-desorption (TPD) spectra and isothermal desorption rates of D₂ molecules from a Si(100) surface have been calculated to reproduce experimental β_1, A-TPD spectra and isothermal desorption rate curves. In the diffusion-promoted-desorption (DPD) mechanism, hydrogen desorption from the Si(100) (2 × 1) surfaces takes place via D atom diffusion from doubly-occupied Si dimers (DODs) to their adjacent unoccupied Si dimers (UODs). Taking a clustering interaction among DODs into consideration, coverages θ_DU of desorption sites consisting of a pair of a DOD and UOD are evaluated by a Monte Carlo (MC) method. The TPD spectra for the β_1, A peak are obtained by numerically integrating the desorption rate equation R = ν_A exp(? E_d, A / k_BT)θ_DU, where ν_A is the pre-exponential factor and E_d, A is the desorption barrier. The TPD spectra calculated for E_d, A = 1. 6 eV and ν_A = 2.7 × 10⁹ /s are found to be in good agreement with the experimental TPD data for a wide coverage range from 0.01 to 0.74 ML. Namely, the deviation from first-order kinetics observed in the coverage dependent TPD spectra as well as in the isothermal desorption rate curves can be reproduced by the model simulations. This success in reproducing both the experimental TPD data and the very low desorption barrier validates the proposed DPD mechanism.     

The effect of SixNy interlayer on the quality of GaN epitaxial layers grown on Si(1 1 1) substrates by MOCVD

In the present paper, the effects of nitridation on the quality of GaN epitaxial films grown on Si(1 1 1) substrates by metal–organic chemical vapor phase deposition (MOCVD) are discussed. A series of GaN layers were grown on Si(1 1 1) under various conditions and characterized by Nomarski microscopy (NM), atomic force microscopy (AFM), high resolution X-ray diffraction (HRXRD), and room temperature (RT) photoluminescence (PL) measurements. Firstly, we optimized LT-AlN/HT-AlN/Si(1 1 1) templates and graded AlGaN intermediate layers thicknesses. In order to prevent stress relaxation, step-graded AlGaN layers were introduced along with a crack-free GaN layer of thickness exceeding 2.2 μm. Secondly, the effect of in situ substrate nitridation and the insertion of an Si_xN_y intermediate layer on the GaN crystalline quality was investigated. Our measurements show that the nitridation position greatly influences the surface morphology and PL and XRD spectra of GaN grown atop the Si_xN_y layer. The X-ray diffraction and PL measurements results confirmed that the single-crystalline wurtzite GaN was successfully grown in samples A (without Si_xN_y layer) and B (with Si_xN_y layer on Si(1 1 1)). The resulting GaN film surfaces were flat, mirror-like, and crack-free. The full-width-at-half maximum (FWHM) of the X-ray rocking curve for (0 0 0 2) diffraction from the GaN epilayer of the sample B in ω-scan was 492 arcsec. The PL spectrum at room temperature showed that the GaN epilayer had a light emission at a wavelength of 365 nm with a FWHM of 6.6 nm (33.2 meV). In sample B, the insertion of a Si_xN_y intermediate layer significantly improved the optical and structural properties. In sample C (with Si_xN_y layer on Al_0.11Ga_0.89N interlayer). The in situ depositing of the, however, we did not obtain any improvements in the optical or structural properties.