The interplay between the lattice and magnetism in La(Fe_11.4Al_1.6)C_0.02 studied by powder neutron diffraction

The crystallographic structure and magnetic properties of La(Fe 11.4 Al 1.6 )C 0.02 are studied by magnetic measure- ment and powder neutron diffraction with temperature and applied magnetic field. Rietveld refinement shows that La(Fe 11.4 Al 1.6 )C 0.02 crystallizes into the cubic NaZn 13 -type with two different Fe sites: Fe I (8b) and Fe II (96i), and that Al atoms preferentially occupy the Fe II site. A ferromagnetic state can be induced at a medial temperature of 39 K–139 K by an external magnetic field of 0.7 T, and a large lattice is correspondingly found at 100 K and 0.7 T. In all other conditions, La(Fe 11.4 Al 1.6 )C 0.02 has no net magnetization in the paramagnetic (T > T N = 182 K) or antifer- romagnetic states, and thus keeps its small lattice. Analysis of the Fe–Fe bond length indicates that the ferromagnetic state prefers longer Fe–Fe distances.     

Application of TiO2 with different structures in solar cells

The application of TiO2-based devices is mainly dependent on their crystalline structure,morphology,size,and exposed facets.Two kinds of TiO2 with different structures,namely TiO2 pompons and TiO2 nanotubes,have been prepared by the hydrothermal method.TiO2 with different structures is characterized by scanning electron microscopy(SEM),X-ray diffraction(XRD),and Brunauer-Emmett-Teller(BET) surface area analysis.Solar cells based on poly(3-hexylthiophene)(P3HT) and TiO2 with different structures are fabricated.In the device ITO/TiO2/P3HT/Au,the P3HT is designed to act as the electron donor,and TiO2 pompons and TiO2 nanotubes act as the electron acceptor.The effects of the TiO2 structure on the performance of hybrid heterojunction solar cells are investigated.The device with TiO2 pompons has an open circuit voltage(Voc) of 0.51 V,a short circuit current(Jsc) of 0.21 mA/cm2,and a fill factor(FF) of 28.3%.Another device with TiO2 nanotubes has a V oc of 0.5 V,J sc of 0.27mA/cm2,and FF of 28.4%.The results indicate that the TiO2 nanotubes with a unidimensional structure have better carrier transport and light absorption properties than TiO 2 pompons.Consequently,the solar cell based on TiO2 nanotubes has a better performance.     

The effect of an anti-hydrogen bond on Fermi resonance:A Raman spectroscopic study of the Fermi doublet ν1-ν12 of liquid pyridine

The effects of an anti-hydrogen bond on the ν1-ν12 Fermi resonance(FR) of pyridine are experimentally investigated by using Raman scattering spectroscopy.Three systems,pyridine/water,pyridine/formamide,and pyridine/carbon tetrachloride,provide varying degrees of strength for the diluent-pyridine anti-hydrogen bond complex.Water forms a stronger anti-hydrogen bond with pyridine than with formamide,and in the case of adding non-polar solvent carbon tetrachloride,which is neither a hydrogen bond donor nor an acceptor and incapable of forming a hydrogen bond with pyridine,the intermolecular distance of pyridine will increase and the interaction of pyridine molecules will reduce.The dilution studies are performed on the three systems.Comparing with the values of the Fermi coupling coefficient W of the ring breathing mode ν1 and triangle mode ν12 of pyridine at different volume concentrations,which are calculated according to the Bertran equations,in three systems,we find that the solution with the strongest anti-hydrogen bond,water,shows the fastest change in the ν1-ν12 Fermi coupling coefficient W with the volume concentration varying,followed by the formamide and carbon tetrachloride solutions.These results suggest that the stronger anti-hydrogen bond-forming effect will cause a greater reduction in the strength of the ν1-ν12 FR of pyridine.According to the mechanism of the formation of an anti-hydrogen bond in the complexes and the FR theory,a qualitative explanation for the anti-hydrogen bond effect in reducing the strength of the ν1-ν12 FR of pyridine is given.     

Cluster projective synchronization of complex networks with nonidentical dynamical nodes

We investigate a new cluster projective synchronization(CPS) scheme in time-varying delay coupled complex dynamical networks with nonidentical nodes.Based on the community structure of the networks,the controllers are designed differently for the nodes in one community,which have direct connections to the nodes in the other communities and the nodes without direct connections to the nodes in the other communities.Some sufficient criteria are derived to ensure the nodes in the same group projectively synchronize and there is also projective synchronization between nodes in different groups.Particularly,the weight configuration matrix is not assumed to be symmetric or irreducible.The numerical simulations are performed to verify the effectiveness of the theoretical results.     

Fabrication and optical properties of InGaN/GaN multiple quantum well light emitting diodes with amorphous BaTiO₃ ferroelectric film

BaTiO3(BTO) ferroelectric thin films are prepared by the sol-gel method.The fabrication and the optical properties of an InGaN/GaN multiple quantum well light emitting diode(LED) with amorphous BTO ferroelectric thin film are studied.The photoluminescence(PL) of the BTO ferroelectric film is attributed to the structure.The ferroelectric film which annealed at 673 K for 8 h has the better PL property.The peak width is about 30 nm from 580 nm to 610 nm,towards the yellow region.The mixed electroluminescence(EL) spectrum of InGaN/GaN multiple quantum well LED with 150-nm thick amorphous BTO ferroelectric thin film displays the blue-white light.The Commission Internationale De L’Eclairage(CIE) coordinate of EL is(0.2139,0.1627).EL wavelength and intensity depends on the composition,microstructure and thickness of the ferroelectric thin film.The transmittance of amorphous BTO thin film is about 93% at a wavelength of 450 nm-470 nm.This means the amorphous ferroelectric thin films can output more blue-ray and emission lights.In addition,the amorphous ferroelectric thin films can be directly fabricated without a binder and used at higher temperatures(200℃-400℃).It is very favourable to simplify the preparation process and reduce the heat dissipation requirements of an LED.This provides a new way to study LEDs.     

Charge ordering modulations in a Bi0.4Ca0.6MnO3 film with a thickness of 110 nm

The low temperature sample stage in a transmission electron microscope is used to investigate the charge ordering behaviours in a Bi0.4Ca0.6MnO3 film with a thickness of 110 nm at 103 K. Six different types of superlattice structures are observed using the selected-area electron diffraction （SAED） technique, while three of them match well with the modulation stripes in high-resolution transmission electron microscopy （HRTEM） images. It is found that the modulation periodicity and direction are completely different in the region close to the Bi0.4Ca0.6MnO3/SrTiO3 interface from those in the region a little further from the Bi0.4Ca0.6MnO3/SrTiO3 interface, and the possible reasons for this are discussed. Based on the experimental results, structural models are proposed for these localized modulated structures.     

The optimal thickness of a transmission-mode GaN photocathode

A 150-nm-thick GaN photocathode with a Mg doping concentration of 1.6×1017cm-3 is activated by Cs/O in an ultrahigh vacuum chamber,and a quantum efficiency(QE) curve of the negative electron affinity transmission-mode(t-mode) of the GaN photocathode is obtained.The maximum QE reaches 13.0% at 290 nm.According to the t-mode QE equation solved from the diffusion equation,the QE curve is fitted.From the fitting results,the electron escape probability is 0.32,the back-interface recombination velocity is 5×104 cm·s-1,and the electron diffusion length is 116 nm.Based on these parameters,the influence of GaN thickness on t-mode QE is simulated.The simulation shows that the optimal thickness of GaN is 90 nm,which is better than the 150-nm GaN.     

Defect properties of CuCrO₂:A density functional theory calculation

Using the first-principles methods,we study the formation energetics properties of intrinsic defects,and the charge doping properties of extrinsic defects in transparent conducting oxides CuCrO2.Intrinsic defects,some typical acceptortype,and donor-type extrinsic defects in their relevant charge state are considered.By systematically calculating the formation energies and transition energy,the results of calculation show that,V Cu,O i,and O Cu are the relevant intrinsic defects in CuCrO2 ;among these intrinsic defects,V Cu is the most efficient acceptor in CuCrO2.It is found that all the donor-type extrinsic defects have difficulty in inducing n-conductivity in CuCrO2 because of their deep transition energy level.For all the acceptor-type extrinsic defects,substituting Mg for Cr is the most prominent doping acceptor with relative shallow transition energy levels in CuCrO2.Our calculation results are expected to be a guide for preparing promising n-type and p-type materials in CuCrO2.     

Synthesis and thermoelectric properties of Mn-doped AgSbTe₂ compounds

Polycrystalline p-type Ag 0.9 Sb 1.1 x Mn x Te 2.05(x = 0.05,0.10,and 0.20) compounds have been prepared by a combined process of melt-quenching and spark plasma sintering.The sample composition of Ag 0.9 Sb 1.1 x Mn x Te 2.05 has been specially designed in order to achieve the doping effect by replacing part of Sb with Mn and to present the uniformly dispersed Ag 2 Te phase in the matrix by adding insufficient Te,which is beneficial for optimizing the electrical transport properties and enhancing the phonon scattering effect.All the samples have the NaCl-type structure according to our X-ray powder diffraction analysis.After the treatment of spark plasma sintering,only the sample with x = 0.20 has a small amount of MnTe 2 impurities.The thermal analysis indicates that a tiny amount of Ag 2 Te phase exists in all these samples.The presence of the MnTe 2 impurity with high resistance and high thermal conductivity leads to the deteriorative thermoelectric performance of the sample with x = 0.20 due to the decreased electrical transport properties and the increased thermal conductivity.In contrast,the sample with x = 0.10 exhibits enhanced thermoeletric properties due to the Mn-doping effect.A dimensionless thermoelectric figure of merit of 1.2 is attained for the sample with x = 0.10 at 573 K,showing promising thermoelectric properties in the medium temperature range.     

Multiferroic phase transitions in manganites RMnO₃:A two-orbital double exchange simulation

The semi-quantum two-orbital exchange model is used to investigate the effect of small rare-earth ion substitution on orthorhombic RMnO 3 with A-type antiferromagnetic order,using the Monte Carlo algorithm,exact diagonalization,and zero-temperature optimization approaches.It is revealed that the substitution results in a rich multiferroic phase diagram where the coexisting A-type antiferromagnetic phase and spiral spin phase,pure spiral spin phase,coexisting spiral spin phase,the E-type antiferromagnetic phase,and the pure E-type antiferromagnetic phase emerge in sequence.The multiferroic phase transitions modulate substantially the electric polarization,which is consistent qualitatively with recent experiments.