Physical and magnetic properties of (Co, Ag) doped ZnO nanoparticles

Undoped and (Co, Ag) co-doped ZnO nanostructure powders are synthesized by chemical precipitation method without using any capping agent and annealed in air ambient at 500 A degrees C for 1 h. Here, the Ag concentration is fixed at 5 mol% and Co concentration is increased from 0 to 5 mol%. The X-ray diffraction studies reveal that undoped and doped ZnO powders consist of pure hexagonal structure and nano-sized crystallites. The novel Raman peak at 530 cm(-1) has corroborated with the Co doped ZnO nanoparticles. Moreover, the PL studies reveal that as the Co doping concentration increases and it enters into ZnO lattice as substitutional dopant, it leads to the increase of oxygen vacancies (Vo) and zinc interstitials (Zn-i). From the magnetization measurements, it is noticed that the co-doped ZnO nanostructures exhibit considerably robust ferromagnetism i.e. 4.29 emu g(-1) even at room temperature. These (Co, Ag) co-doped ZnO nanopowders can be used in the fabrication of spintronic and optoelectronic device applications.

Growth of AgInS2 thin films by ultrasonic spray pyrolysis technique

Silver Indium Di-sulfide (AgInS2) thin films are deposited using ultrasonic spray pyrolysis technique and the effect of substrate temperature (T-s) on film growth is studied by varying the temperature from 250 to 400 degrees C. From the structural analysis, orthorhombic AgInS2 phase is identified with preferential orientation along (002) plane. Further analysis with Raman revealed the coexistence of Cu-Au ordered and chalcopyrite structures in the films. Stoichiometric films are obtained at T-s of 300 degrees C. Above 300 degrees C, the film conductivity changed from p to n-type and the grain size decreased. The band gap of AgInS2 films varied from 1.55 to 1.89 eV and absorption coefficient is found to be >10(4) cm(-1). The films have sheet resistance in the range of 0.05 to 1300 Omega/square Both p and n type films are prepared through this technique without any external doping. (C) 2013 Elsevier B.V. All rights reserved.

Mechanical and electronic properties of pristine and Ni-doped Si, Ge, and Sn sheets

Silicene, a graphene analogue of silicon, has been generating immense interest due to its potential for applications in miniaturized devices. Unlike planar graphene, silicene prefers a buckled structure. Here we explore the possibility of stabilizing the planar form of silicene by Ni doping using first principles density functional theory based calculations. It is found that planar as well as buckled structure is stable for Ni-doped silicene, but the buckled sheet has slightly lower total energy. The planar silicene sheet has unstable phonon modes. A comparative study of the mechanical properties reveals that the in-plane stiffness of both the pristine and the doped planar silicene is higher compared to that of the buckled silicene. This suggests that planar silicene is mechanically more robust. Electronic structure calculations of the planar and buckled Ni-doped silicene show that the energy bands at the Dirac point transform from linear behavior to parabolic dispersion. Furthermore, we extend our study to Ge and Sn sheets that are also stable and the trends of comparable mechanical stability of the planar and buckled phases remain the same.

Physics and chemistry of CdTe/CdS thin film heterojunction photovoltaic devices: fundamental and critical aspects

Among the armoury of photovoltaic materials, thin film heterojunction photovoltaics continue to be a promising candidate for solar energy conversion delivering a vast scope in terms of device design and fabrication. Their production does not require expensive semiconductor substrates and high temperature device processing, which allows reduced cost per unit area while maintaining reasonable efficiency. In this regard, superstrate CdTe/CdS solar cells are extensively investigated because of their suitable bandgap alignments, cost effective methods of production at large scales and stability against proton/electron irradiation. The conversion efficiencies in the range of 6-20% are achieved by structuring the device by varying the absorber/window layer thickness, junction activation/annealing steps, with more suitable front/back contacts, preparation techniques, doping with foreign ions, etc. This review focuses on fundamental and critical aspects like: (a) choice of CdS window layer and CdTe absorber layer; (b) drawbacks associated with the device including environmental problems, optical absorption losses and back contact barriers; (c) structural dynamics at CdS-CdTe interface; (d) influence of junction activation process by CdCl2 or HCF2Cl treatment; (e) interface and grain boundary passivation effects; (f) device degradation due to impurity diffusion and stress; (g) fabrication with suitable front and back contacts; (h) chemical processes occurring at various interfaces; (i) strategies and modifications developed to improve their efficiency. The complexity involved in understanding the multiple aspects of tuning the solar cell efficiency is reviewed in detail by considering the individual contribution from each component of the device. It is expected that this review article will enrich the materials aspects of CdTe/CdS devices for solar energy conversion and stimulate further innovative research interest on this intriguing topic.

Valence band electronic structure of Nd1-xYxMnO3 using X-ray absorption, photoemission and GGA plus U calculations

The electronic structures of Nd1-xYxMnO3 (x=0-0.5) were studied using X-ray absorption near-edge structure (XANES) at the Mn L-3,L-2- and O K-edge along with valence-band photoemission spectroscopy (VB-PES). The systematic increase in white-line intensity of the Mn L-3,L-2-edge with doping, suggests a decrease in the occupancy of Mn 3d orbitals. The O K-edge XANES shows a depletion of unoccupied states above the Fermi energy. The changes in the O K-edge spectra due to doping reflects an increase in the Jahn-Teller distortion. The VB-PES shows broadening of the features associated with Mn 3d and O 2p hybridized states and the shift of these features to a slightly higher binding energy in agreement with our GGA + U calculations. The system shows a net shift of the occupied and unoccupied states away from the Fermi energy with doping. The shift in theoretical site-projected density of states of x=0.5 composition with respect to x=0 suggest a subtle change from a charge transfer to Mott-Hubbard type insulator. (C) 2013 Elsevier B.V. All rights reserved.

Low embodied energy cement stabilised rammed earth building-A case study

Rammed earth is a monolithic construction and the construction process involves compaction of processed soil in progressive layers in a rigid formwork. Durable and thinner load bearing walls can be built using stabilised rammed earth. Use of inorganic additives such as cement for rammed earth walls has been in practice since the last 5-6 decades and cement stabilised rammed earth (CSRE) buildings can be seen across the world. The paper deals with the construction aspects, structural design and embodied energy analysis of a three storey load bearing school building complex. The CSRE school complex consists of 15 classrooms, an open air theatre and a service block. The complex has a built-up area of 1691.3 m(2) and was constructed employing manual construction techniques. This case study shows low embodied energy of 1.15 GJ/m(2) for the CSRE building as against 3-4 GJ/m(2) for conventional burnt clay brick load bearing masonry buildings. (C) 2013 Elsevier B.V. All rights reserved.

Synthesis, Characterization and Properties of Single-Walled Carbon Nanohorns

Single-walled nanohorns (SWNHs) have been prepared by sub-merged arc discharge of graphite electrodes in liquid nitrogen. The samples were examined by scanning electron microscopy, transmission electron microscopy and Raman spectroscopy. Nitrogen and boron doped SWNHs have been prepared by the sub-merged arc discharge method using melamine and elemental boron as precursors. Intensification of Raman D-band and stiffening of G-band has been observed in the doped samples. The electrical resistance of the SWNHs varies in opposite directions with nitrogen and boron doping. Functionalization of SWNHs through amidation has been carried out for solubilizing them in non-polar solvents. Water-soluble SWNHs have been produced by acid treatment and non-covalent functionalization with a coronene salt. SWNHs have been decorated with nanoparticles of Au, Ag and Pt. Interaction of electron donor (tetrathiafulvalene, TTF) and acceptor molecules (tetracyanoethylene, TCNE) with SWNHs has been investigated by Raman spectroscopy. Progressive softening and stiffening of Raman G-band has been observed respectively with increase in the concentration of TTF and TCNE.

The effect of multisubstitution on the thermoelectric properties of chalcogenide-based Cu2.1Zn0.9Sn1-xInxSe4 (0 <= x <= 0.1)

Quinary chalcogenide compounds Cu2.1Zn0.9Sn1-xInxSe4 (0 <= x <= 0.1) were prepared by melting (1170K) followed by annealing (773 K) for 172 h. Powder X-ray diffraction (XRD) data accompanied by electron probe microanalysis (EPMA) and Raman spectra of all the samples confirmed the formation of a tetragonal kesterite structure with Cu2FeSnS4-type. The thermoelectric properties of all the samples were measured as a function of temperature in the range of 300-780K. The electrical resistivity of all the samples exhibits metallic-like behavior. The positive values of the Seebeck coefficient and the Hall coefficient reveal that holes are the majority charge carriers. The codoping of copper and indium leads to a significant increase of the electrical resistivity and the Seebeck coefficient as a function of temperature above 650 K. The thermal conductivity of all the samples decreases with increasing temperature. Lattice thermal conductivity is not significantly modified as the doping content may infer negligible mass fluctuation scattering for copper/zinc and indium/tin substitution. Even though, the power factors (S-2/rho) of indium-doped samples Cu2.1Zn0.9Sn1-xInxSe4 (x = 0.05, 0.075) are almost the same, the maximum zT = 0.45 at 773K was obtained for Cu2.1Zn0.9Sn0.925In0.075Se4 due to its smaller value of thermal conductivity. (C) 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Correlations between mechanical and photoluminescence properties in Eu doped sodium bismuth titanate

Nanoindentation technique is utilized to examine mechanical property variation in Eu doped Na0.5Bi0.5 TiO3 (NBT). Doping levels of Eu in NBT is systematically varied. Dilute doping results in a linear reduction in both modulus and hardness. At higher concentrations, a recovery of the mechanical properties (to undoped NBT values) is observed. These experimental trends mirror variations in the optical emission intensities with Eu concentration. Observed trends are rationalized on the basis of a model, which hypothesizes phase segregation beyond a critical Eu doping level. Such segregation leads to the formation of pure NBT, nano-Eu saturated NBT, and nano-mixed Eu oxides in the microstructure. Pure NBT is optically inactive, while saturated Eu:NBT is a much better emitter when compared to europium oxide. Hence beyond the critical concentration, luminescence signal comes primarily from the saturated Eu:NBT phase. The model presented is supported by nanoindentation, and spectroscopic results. (C) 2013 Elsevier Ltd. All rights reserved.

Electronic structure of Nd1-xYxMnO3 from Mn K edge absorption spectroscopy and DFT methods

The electronic structure of Nd1-xYxMnO3 (x-0-0.5) is studied using x-ray absorption near-edge structure (XANES) spectroscopy at the Mn K-edge along with the DFT-based LSDA+U and real space cluster calculations. The main edge of the spectra does not show any variation with doping. The pre-edge shows two distinct features which appear well-separated with doping. The intensity of the pre-edge decreases with doping. The theoretical XANES were calculated using real space multiple scattering methods which reproduces the entire experimental spectra at the main edge as well as the pre-edge. Density functional theory calculations are used to obtain the Mn 4p, Mn 3d and O 2p density of states. For x=0, the site-projected density of states at 1.7 eV above Fermi energy shows a singular peak of unoccupied e(g) (spin-up) states which is hybridized Mn 4p and O 2p states. For x=0.5, this feature develops at a higher energy and is highly delocalized and overlaps with the 3d spin-down states which changes the pre-edge intensity. The Mn 4p DOS for both compositions, show considerable difference between the individual p(x), p(y) and p(z)), states. For x=0.5, there is a considerable change in the 4p orbital polarization suggesting changes in the Jahn-Teller effect with doping. (C) 2013 Elsevier Ltd. All rights reserved.

Dielectric and electrical studies of Pr3+ doped nano CaSiO3 perovskite ceramics

CaSiO3 nano-ceramic powder doped with Pr3+ has been prepared by solution combustion method. The powder Ca0.5Pr0.05SiO3 is investigated for its dielectric and electrical properties at room temperature to study the effect of doping. The sample is characterized by X-ray diffraction and infrared spectroscopy. The size of either of volume elements of CaSiO3:Pr3+ estimated from transmission electron microscopy is about 180-200 nm. The sample shows colossal dielectric response at room temperature. This colossal dielectric behaviour follows Debye-type relaxation and can be explained by Maxwell-Wagner (MW) polarization. However, analysis of impedance and electric modulus data using Cole-Cole plot shows that it deviates from ideal Debye behaviour resulting from the distribution of relaxation times. The distribution in the relaxation times may be attributed to existence of electrically heterogeneous grains, insulating grain boundary, and electrode contact regions. Doping, thus, results in substantial modifications in the dielectric and electrical properties of the nano-ceramic CaSiO3. (C) 2013 Elsevier Ltd. All rights reserved.

On the mechanism of room temperature superconductivity in substitutionally doped graphene

A combined mechanism involving phononic and electronic processes is suggested for superconductivity in substitutionally doped graphene. The electronic mechanism is similar to the one used for doped fullerene system, MxC60 (M K, Rb, etc.) and triggered by bond polarization due to doped impurities such as B or Al. It is found that on increasing the doping, the superconducting critical temperature can be raised to room temperature. The details of the combined model are given along with the predicted values of T-c. (C) 2013 Elsevier Ltd. All rights reserved,

Investigation on the Sr-doped ceria Ce1-xSrO2-delta (x=0.05-0.2) as an electrolyte for intermediate temperature SOFC

The effect of Sr doping in CeO2 for its use as solid electrolytes for intermediate temperature solid oxide fuel cells (IT-SOFCs) has been explored here. Ce1-xSrxO2-delta (x = 0.05-0.2) are successfully synthesized by citrate-complexation method. XRD, Raman, FT-IR, FE-SEM/EDX and electrochemical impedance spectra are used for structural and electrical characterizations. The formation of well crystalline cubic fluorite structured solid solution is observed for x = 0.05 based on XRD and Raman spectra. For compositions i.e., x > 0.05, however, a secondary phase of SrCeO3 is confirmed by the peak at 342 cm(-1) in Raman spectra. Although the oxygen ion conductivity was found to decrease with increase in x, based on ac-impedance studies, conductivity of Ce0.95Sr0.05O2-delta was found to be higher than of Ce0.95Gd0.1O2-delta and Ce0.8Gd0.2O2-delta. The decrease in conductivity of Ce1-xSrxO2-delta with increasing dopant concentration is ascribed to formation of impurity phase SrCeO3 as well as the formation of neutral associated pairs, Se `' Ce V-o. The activation energies are found to be 0.77, 0.83, 0.85 and 0.90 eV for x = 0.05, 0.1, 0.15 and 0.20, respectively. (C) 2014 Elsevier B.V. All rights reserved.

Raman signatures of intermediate phase in quaternary Ge15Te80 (-) xIn5Agx glasses

Micro-Raman studies are conducted on as-quenched and annealed Ge15Te80 -_xIn5Agx glasses to probe the structural network and its evolution with composition. These studies reveal the presence of tetrahedral GeTe4 structural units in as-quenched samples. Specific signatures of the intermediate phase (IP) are observed in the composition dependence of Raman frequencies and corresponding intensities of different modes in the composition range, 8 <= x <= 16. In addition, the Raman peak positions are found to shift with silver doping. Apart from the Raman results, the compositional dependence of density, molar volume and thermal diffusivity, observed in the present study, confirms the presence of the intermediate phase. In thermally annealed samples, a unique variation of Raman wave-numbers in the intermediate region is observed due to the retention of some of the local structure even after the sample is crystallized. The observed Raman peaks are attributed to crystalline tellurium and silver lattice vibrational modes. Based on our present and earlier studies, we propose the occurrence of three thresholds in Ge15Te80 - xIn5Agx glasses, namely percolation of rigidity, percolation of stress and the onset of chemical phase separation on a nanoscale at 8%, 16% and 20% of silver concentration respectively. (C) 2014 Elsevier B.V. All rights reserved.

NaOsO3: A high Neel temperature 5d oxide

The origin of a high Neel temperature in a 5d oxide, NaOsO3, has been analyzed within the mean-field limit of a multiband Hubbard model and compared with the analogous 4d oxide, SrTcO3. Our analysis shows that there are a lot of similarities in both of these oxides on the dependence of the effective exchange interaction strength (J(0)) on the electron-electron interaction strength ( U). However, the relevant value of U in each system puts them in different portions of the parameter space. Although the Neel temperature for NaOsO3 is less than that for SrTcO3, our results suggest that there could be examples among other 5d oxides that have a higher Neel temperature. We have also examined the stability of the G-type antiferromagnetic state found in NaOsO3 as a function of electron doping within GGA + U calculations and find a robust G-type antiferromagnetic metallic state stabilized. The most surprising aspect of the doped results is the rigid bandlike evolution of the electronic structure, which indicates that the magnetism in NaOsO3 is not driven by Fermi surface nesting.