Surface and transport studies on La0.7Ba0.3MnO3:SnO2 bilayer

We report on study of morphology, optical contrast and transport characteristics of La_0.7Ba_0.3MnO₃ (LBMO) manganite thin films bilayered with SnO₂ on Si (0 0 1) substrate, synthesized using pulsed laser deposition system. X-ray diffraction study reveals that both LBMO and SnO₂ show polycrystalline growth over the substrate. Atomic force microscopy shows interesting pyramidal structures of LBMO of size ∼2 μm × 1 μm × 0.1 μm. On the other hand, SnO₂ grows in the form of close packed cylindrical clusters of ∼200 nm radius. Near-field optical microscopy (NSOM) study using 532 nm laser reveal that optical NSOM output intensity in LBMO is four times less than SnO₂ signal. Transport characterizations show that this bilayer configuration exhibit non-linear current-voltage characteristics from 300 upto 50 K. The nature becomes linear below this temperature. The results project the system as a promising candidate in non-conventional device category in the area of spintronics.     

Crystal field interactions in DyFe2Si2 and DyFe2Ge2

Two sets of crystal field (CF) parameters have been proposed for DyFe₂Si₂, none of which could provide a simultaneous explanation of the available experimental data, particularly at low temperatures (below 100 K). The set derived from magnetic studies could not even explain the thermal variation of the magnetic specific heat reported in the same work. Although the set of CF parameters, obtained from a fit to the Mossbauer spectra, could provide a fairly good explanation of the thermal variation of the magnetic susceptibilities along the c-axis, it could not explain the observed thermal variation of other reported experimental findings. In the present work, an appraisal of the CF parameters proposed earlier has been done and a set of CF parameters has been derived, which provide a simultaneous explanation of all the available experimental data. The effect of substitution of Ge for Si on the magnetic properties and the magnetic specific heat of DyFe₂Si₂ has been studied in the framework of one electron crystal field model. The inelastic neutron scattering studies and EPR measurements are required to check the predicted Stark energies and the paramagnetic resonance g-values.     

Optical and crystal-field analysis of Er ion in Y2O3-P2O5 thin films

Luminescence spectra of erbium ions doped in Y₂O₃-P₂O₅ thin films, with different P₂O₅ content (from 3% to 47%), were analysed with crystal-field Hamiltonian model with D_2d symmetry including J-mixing effect. The empirical crystal-field parameters (CFPs) obtained for the best fit of calculated to experimental energy levels allows us to confirm the well-established YPO₄ phase for 47% of P₂O₅. The CFPs are compared to those calculated for Ce³⁺, Nd³⁺ and Dy³⁺ in the YPO₄ host. This work is a continuation of our previous results for erbium-doped Y₂O₃ thin films.     

Control of electronic properties of HfO2 with fluorine doping from first-principles

The authors investigate the effect of the fluorine doping on the electronic properties of HfO₂ in order to realize the perfect passivation of oxygen vacancy (Vo) with no excess charges, and with no band gap narrowing. Introducing of substitutional fluorine (Fs) can avoid deterioration in a gate oxide caused due to oxygen vacancies. However, introduction of fluorine alone adversely induces excess charges in gate oxide. Our calculated results provide new several dopants to control the electronic properties of HfO₂ in purpose of achieving a large energy gain for the most stable state, no band gap narrowing, and also no excess charges. Here, two dopant pairs, Fs-Ns, and Fs-Als, are proposed.     

Improved electron injection of OLEDs with a thin PBD layer at Alq3/Cs2CO3 interface

In this study, the effect of one oxadiazole derivative (PBD) using as an electron injection layer (EIL) at Alq₃/Cs₂CO₃ interface has been investigated. The present of PBD EIL was showed an interesting enhanced electron injection for OLEDs although the nominal electron injection barrier for PBD based OLEDs is much larger, because PBD owns an obvious higher intrinsic the Lowest Unoccupied Molecular Orbital level (2.3 eV) than that of Alq₃ (3.0 eV). For example, the current density of OLEDs at 8 V was increased from 54 mA/cm² to 168 mA/cm² when inserting a thin PBD layer (5 nm) at Alq₃/Cs₂CO₃ interface. Here the increased current is suggested associating with the changed electronic structure of PBD when it contacts with Cs₂CO₃.     

First principles analysis of the MgAl2O4:Ni absorption spectrum

Analysis of the energy-level scheme and absorption spectrum of the Ni²⁺ ion in MgAl₂O₄ was performed. The recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multi-electron (DV-ME) method [K. Ogasawara, et al., Phys. Rev. B 64 (2001) 115413) was used in the calculations. The method is based on the numerical solution of the Dirac equation; no phenomenological parameters are used in the calculations. As a result, complete energy-level scheme of Ni²⁺ and its absorption spectra were calculated, assigned and compared with experimental data on the ground and excited state absorption spectra. Numerical contributions of all possible electron configurations into the calculated energy states were determined. By performing analysis of the molecular orbitals population, numerical contributions of the oxygen 2p- and 2s-orbitals into the 3d molecular orbitals were determined.     

Crystal growth, spectroscopic and crystal field studies of [N(CH3)4]2MnCl4 and [N(CH3)4]2CoCl4 single crystals in the paraelectric phase

Single crystals [N(CH₃)₄]₂MnCl₄ and [N(CH₃)₄]₂CoCl₄ were grown by the slow evaporation technique from the super-saturated solutions. The samples obtained were undergone the X-ray and spectroscopic studies. Absorption spectra in the paraelectric phase at T=303 K have been recorded using the Shimadzu 160A double beam automatic scanning spectrophotometers. On the basis of the exchange charge model and Racah theory the crystal field parameters and Racah parameters have been calculated; all absorption bands for both crystals were given an assignment.     

The electronic structure and magnetism of GdSi2 by first-principles study

We have investigated electronic and magnetic properties of hexagonal, tetragonal, and orthorhombic GdSi₂, using the full-potential linearized augmented plane-wave method based on general gradient approximation for exchange-correlation potential. Antiferromagnetic (AFM) states of the GdSi₂ are found from total energy calculations to be energetically more stable, compared to ferromagnetic (FM) states in all of the considered present crystal structures. It is in good agreement with an experimental result. The calculated magnetic moments of valence electrons of the Gd atoms are 0.16, 0.14, and 0.14 μ_B for hexagonal, tetragonal, and orthorhombic crystal structures in AFM states, respectively, and the Si atoms are coupled antiferromagnetically to the Gd atoms irrespective of crystal structure even though their magnitudes are negligible.     

Photoluminescence and Raman spectra of the ordered vacancy compound CuGa5Se8

We studied the photoluminescence (PL) and Raman properties of the ordered defect compound CuGa₅Se₈. Twelve peaks were detected from the room-temperature Raman spectra with the A₁ mode around 160 cm⁻¹. Due to the stress in the polycrystalline thin film the corresponding frequencies of the Raman modes of a CuGa₅Se₈ single crystal were slightly shifted. One broad asymmetric PL band at 1.788 and 1.765 eV was observed at 10 K in the PL spectra of CuGa₅Se₈ single crystal and polycrystalline layer, respectively. The temperature and laser power dependencies of the PL spectra were also studied. The shape and properties of the PL band assure the presence of potential fluctuations and the analyses of the PL data suggest that the emission is due to band-to-tail (BT) or band-to-impurity (BI) recombination.     

Structure, magnetic and electrical transport properties of cosputtered Fe0.5Ge0.5 nanocomposite films

Fe_0.5Ge_0.5 nanocomposite films with different film thicknesses were fabricated using cosputtering. The films are composed of Ge, Fe and Fe₃Ge₂, and are ferromagnetic at room temperature. The saturation magnetization and magnetic interaction including dipolar interaction and exchange coupling increase with the increasing film thickness. The electrical conductance mechanism turns from metallic to semiconducting and the saturation Hall resistivity ρ_xys increases with the decreasing film thickness. At 28 nm, ρ_xys is ∼137 μΩ cm at 2 K, about 150 times larger than that of pure Fe film (0.9 μΩ cm) and four orders larger than that of bulk Fe. The ρ_xy-H curves of all the films show the same linearity character in low-field range even though the temperature-independent slope is different at different film thicknesses. At high temperatures, the skew scattering mechanism is dominant. At low temperatures, side-jump effect should be dominant at large resistivity ρ_xx regime for the thin films, and the skew scattering is dominant at small ρ_xx regime for the thick films.     

First principles study on electronic structure of β-Ga2O3

We have studied the electronic structure of β-Ga₂O₃ using the first principles full-potential linearized augmented plane wave method. It is found that β-Ga₂O₃ has an indirect band gap with a conduction band minimum (CBM) at Γ point and a valence band maximum on the E line. The anisotropic optical properties are explained by the selection rule of the band-to-band transitions. On the other hand, the shape of the CBM is almost isotropic and, therefore, the observed electronic anisotropy in the n-type semiconducting state should not be attributed to the properties of a perfect lattice. The Burstein-Moss shift is discussed using the effect of several allowed transitions between the levels of the valence band and the CBM.     

EPR spectra of Fe centers in layered TlGaSe2 single crystal

A single-crystal TlGaSe₂ doped by paramagnetic Fe ions has been studied at room temperature by electron paramagnetic resonance (EPR) technique. The fine structure of EPR spectra of paramagnetic Fe³⁺ ions was observed. The spectra were interpreted to correspond to the transitions among spin multiplet (S=5/2, L=0) of Fe³⁺ ion, which are splitted by the local ligand crystal field (CF) of orthorhombic symmetry. Four equivalent Fe³⁺ centers have been observed in the EPR spectra and the local symmetry of crystal field at the Fe³⁺ site and CF parameters were determined. Experimental results indicate that the Fe ions substitute Ga at the center of GaSe₄ tetrahedrons, and the rhombic distortion of the CF is caused by the Tl ions located in the trigonal cavities between the tetrahedral complexes.     

A crystal field investigation of the properties of RCuAs2 (R=Pr, Nd, Sm, Tb, Dy, Ho, Er and Yb)

A crystal field (CF) investigation of the magnetic properties and heat capacities of RCuAs₂ (R=Pr, Nd, Sm, Tb, Dy, Ho, Er and Yb) has been carried out using the observed average magnetic susceptibilities (1.8-300 K) of the title compounds. The CF parameters proposed for the systems show a systematic variation throughout the rare-earth series. Other physical properties dependent on the CF are also computed and compared with available experimental data. The experimental heat capacity data reported for a limited range of temperature agree well with computed heat capacity for all the compounds (except SmCuAs₂ and YbCuAs₂). CF J mixing was found to be appreciable for all the samples except YbCuAs₂.     

Spin Splitting in In0.53Ga0.47As/InP Heterostructures

Spin-orbit coupling in a gate-controlled In_0.53Ga_0.47As/InP quantum well isinvestigated in the presence of a large Zeeman effect. We develop a Fourier-transform fitting procedure to extract the zero-field spin-splitting Rashba parameter α. The bare g factor value is found to be of the order of 3 from magnetotransport measurements in tilted magnetic fields. It is found that both Zeeman splitting and Rashba splitting play important roles in determining the total spin splitting in In_0.53Ga_0.47As.     

First-principles study on the metallic antiferromagnet Co[PhPO3]·H2O

The electronic structure and the magnetic properties of transition metal phosphonate Co(PhPO₃)·H₂O have been studied by first-principles within the density-functional theory (DFT) and the full potential linearized augmented plane wave (FP-LAPW) method. The total energy, the total magnetic moment, the atomic spin magnetic moments and the density of states(DOS) of Co(PhPO₃)·H₂O were all calculated. The calculations reveal that the title compound is a metallic antiferromagnet and has a metallic ferromagnetic metastable state, which are in good agreement with the experiment. The spin magnetic moment of Co(PhPO₃)·H₂O is about 4.93 _μB${\mu }_{\mathrm{B}}$ per molecule, and it is mainly assembled at the cobalt atom, at the same time, with a little contribution from the P, O1, O2, O3.     

Correlation between Si-SiO2 heterojunction and Fowler-Nordheim conduction mechanism after soft breakdown in ultrathin oxides

A stress-induced defect band model is proposed to investigate the Fowler-Nordheim tunneling characteristics of ultrathin gate oxides after soft breakdown. Soft breakdown occurs when the average distance between stress-induced defects locally reaches a critical value to overlap the bound electron wavefunction on adjacent defects and to form a defect band. This model shows that an n⁺-poly-Si/N-SiO₂/p-Si heterojunction structure is formed between electrodes at a local area after a soft breakdown in the ultrathin SiO₂ and the soft breakdown current can be described in terms of the Fowler-Nordheim tunneling process with a barrier height of ∼1 eV.     

Electrical and photocatalytic properties of Na2Ti6O13 nanobelts prepared by molten salt synthesis

Single-crystalline Na₂Ti₆O₁₃ nanobelts were prepared on large-scale by molten salt synthesis at 825 °C for 3 h. The obtained nanobelts have typical width of less than 200 nm and thickness of 10-30 nm, and length up to 10 μm. The growth direction of the nanobelts was determined to be along [0 1 0]. Electrical transport property of an individual nanobelt was measured at room temperature and ambient atmosphere, and results showed that the nanobelts are semiconductor. Na₂Ti₆O₁₃ nanobelts exhibited good photocatalytic efficiency for the degradation of RhB under UV irradiation.     

Superconductivity of powder-in-tube Sr0.6K0.4Fe2As2 wires

Nb-sheathed Sr_0.6K_0.4Fe₂As₂ superconducting wires have been fabricated using the powder-in-tube (PIT) method for the first time and the superconducting properties of the wires have been investigated. The transition temperature (T_c) of the Sr_0.6K_0.4Fe₂As₂ wires is confirmed to be as high as 35.3 K. Most importantly, Sr_0.6K_0.4Fe₂As₂ wires exhibit a very weak J_c-field dependence behavior even the temperature is very close to T_c. The upper critical field H_c2(0) value can exceed 140 T, surpassing those of MgB₂ and all the low temperature superconductors. Such high H_c2 and superior J_c-field performance make the 122 phase SrKFeAs wire conductors a powerful competitor potentially useful in very high field applications.     

Twinned EPR spectra of Fe centers in ternary layered TlGaS2 crystal

TlGaS₂ single crystal doped by paramagnetic Fe³⁺ ions has been studied by electron paramagnetic resonance (EPR) technique. The fine structure of EPR spectra of paramagnetic Fe³⁺ ions was observed. The spectra reveal a nearly orthorhombic symmetry of the crystal field (CF) on the Fe³⁺ ions. Two groups each consisting of four equivalent Fe³⁺ centers were observed in the EPR spectra. The local symmetry of the crystal field on the Fe³⁺ centers and CF parameters were determined. Experimental results indicate that the Fe ions substitute Ga at the center of the GaS₄ tetrahedrons. The rhombic distortion of the sulfur ligand CF is attributed to the effect of Tl ions located in the trigonal cavities between the tetrahedral complexes. The observed twinning of the resonance lines indicates a presence of two non-equivalent positions of Tl ions that confirms their zigzag alignment in the TlGaS₂ crystal structure.     

Crystal field analysis of energy level structure of the Cr2O3 antiferromagnet

A detailed analysis of the energy level structure of the six-fold coordinated Cr³⁺ ion in the chromium oxide Cr₂O₃ is performed using the exchange charge model of the crystal field theory. Parameters of the crystal field acting on the Cr³⁺ optical electrons are calculated from the crystal structure data for the [CrO₆]⁹⁻ impurity center. The energy levels obtained are compared with the experimental absorption spectra for the considered crystal; a good agreement with experimental data is demonstrated. One possible explanation for the ultraviolet p₁ absorption band is proposed based on the results of crystal field calculations.