Bhasker Gahtori

Bulk Superconductivity in Bismuth Oxysulfide Bi4O4S3

A very recent report on the observation of superconductivity in Bi(4)O(4)S(3) [Mizuguchi, Y.; http://arxiv.org/abs/1207.3145] could potentially reignite the search for superconductivity in a broad range of layered sulfides. We report here the synthesis of Bi(4)O(4)S(3) at 500 °C by a vacuum encapsulation technique and its basic characterizations. The as-synthesized Bi(4)O(4)S(3) was contaminated with small amounts of Bi(2)S(3) and Bi impurities. The majority phase was found to be tetragonal (space group I4/mmm) with lattice parameters a = 3.9697(2) Å and c = 41.3520(1) Å. Both AC and DC magnetization measurements confirmed that Bi(4)O(4)S(3) is a bulk superconductor with a superconducting transition temperature (T(c)) of 4.4 K. Isothermal magnetization (M-H) measurements indicated closed loops with clear signatures of flux pinning and irreversible behavior. The lower critical field (H(c1)) at 2 K for the new superconductor was found to be ~15 Oe. Magnetotransport measurements showed a broadening of the resistivity (ρ) and a decrease in T(c) (ρ = 0) with increasing magnetic field. The extrapolated upper critical field H(c2)(0) was ~31 kOe with a corresponding Ginzburg-Landau coherence length of ~100 Å . In the normal state, the ρ ~ T(2) dependence was not indicated. Hall resistivity data showed a nonlinear magnetic field dependence. Our magnetization and electrical transport measurements substantiate the appearance of bulk superconductivity in as-synthesized Bi(4)O(4)S(3). On the other hand, Bi heat-treated at the same temperature is not superconducting, thus excluding the possibility of impurity-driven superconductivity in the newly discovered superconductor Bi(4)O(4)S(3).

Thermoelectric properties of Cu3SbSe3 with intrinsically ultralow lattice thermal conductivity

We report the synthesis, characterization and evaluation of the thermoelectric properties of Cu3SbSe3 with a view to explore its utility as an useful thermoelectric material due to its intrinsically low thermal conductivity. Cu3SbSe3 was synthesized employing a solid state reaction process followed by spark plasma sintering, and the synthesized material was extensively characterized for its phase, composition and structure, which suggested formation of a single-phase. The measured electrical transport properties of Cu3SbSe3 indicated p-type conduction in this material. The electrical transport behavior agrees well with that predicted theoretically using first-principle density-functional theory calculations, employing generalized gradient approximation. The measured thermal conductivity was found to be 0.26 W m−1 K−1 at 550 K, which is the lowest reported thus far for Cu3SbSe3 and is among the lowest for state-of-the-art thermoelectric materials. Despite its ultralow thermal conductivity coupled with a moderate Seebeck coefficient, the calculated value of its thermoelectric figure-of-merit was found to be exceptionally low (<0.1), which was primarily attributed to its low electrical conductivity. Nevertheless, it is argued that Cu3SbSe3, due its environmentally-friendly constituent elements, ultralow thermal conductivity and moderate thermopower, could be a potentially useful thermoelectric material as the power factor can be favorably tailored by tuning the carrier concentration using suitable metallic dopants.

Thermoelectric and mechanical properties of spark plasma sintered Cu3SbSe3 and Cu3SbSe4: Promising thermoelectric materials

We report the synthesis of thermoelectric compounds, Cu3SbSe3 and Cu3SbSe4, employing the conventional fusion method followed by spark plasma sintering. Their thermoelectric properties indicated that despite its higher thermal conductivity, Cu3SbSe4 exhibited a much larger value of thermoelectric figure-of-merit as compared to Cu3SbSe3, which is primarily due to its higher electrical conductivity. The thermoelectric compatibility factor of Cu3SbSe4 was found to be ∼1.2 as compared to 0.2 V−1 for Cu3SbSe3 at 550 K. The results of the mechanical properties of these two compounds indicated that their microhardness and fracture toughness values were far superior to the other competing state-of-the-art thermoelectric materials.

Microstructure and mechanical properties of thermoelectric nanostructured n-type silicon-germanium alloys synthesized employing spark plasma sintering

Owing to their high thermoelectric (TE) figure-of-merit, nanostructured Si80Ge20 alloys are evolving as a potential replacement for their bulk counterparts in designing efficient radio-isotope TE generators. However, as the mechanical properties of these alloys are equally important in order to avoid in-service catastrophic failure of their TE modules, we report the strength, hardness, fracture toughness, and thermal shock resistance of nanostructured n-type Si80Ge20 alloys synthesized employing spark plasma sintering of mechanically alloyed nanopowders of its constituent elements. These mechanical properties show a significant enhancement, which has been correlated with the microstructural features at nano-scale, delineated by transmission electron microscopy.

Electrical transport and mechanical properties of thermoelectric tin selenide

Motivated by the unprecedented thermoelectric performance of SnSe, we report its band structure calculations, based on density functional theory using the full potential linearized augmented plane wave. These calculations were further extended to evaluate the electrical transport properties using Boltzmann transport theory and the results were compared with the as-synthesized polycrystalline counterpart, which was synthesized employing conventional vacuum melting technique followed by consolidation employing spark plasma sintering. The as-synthesized SnSe was thoroughly characterized employing XRD, FESEM and TEM for phase purity, morphology and structure. The theoretically predicted band gap values and the temperature dependence of the electrical transport properties of SnSe were in reasonable agreement with the experimental results, within the approximations employed in our theoretical calculations. These theoretical calculations suggested that the optimum thermoelectric performance in SnSe is expected to occur at a hole doping concentration of ∼3 to 5 × 1021 cm−3. The measured fracture toughness and hardness of SnSe were found to be ∼0.76 ± 0.05 MPa √m and 0.27 ± 0.05 GPa, respectively, which are comparable with other state-of-the-art thermoelectric materials. The high value of thermal shock resistance ∼252 ± 9 W m−1, coupled with its good mechanical properties suggests SnSe to be a potential material for thermoelectric device applications.

Band structure and transport studies of copper selenide: An efficient thermoelectric material

We report the band structure calculations for high temperature cubic phase of copper selenide (Cu2Se) employing Hartree-Fock approximation using density functional theory within the generalized gradient approximation. These calculations were further extended to theoretically estimate the electrical transport coefficients of Cu2Se employing Boltzmann transport theory, which show a reasonable agreement with the corresponding experimentally measured values. The calculated transport coefficients are discussed in terms of the thermoelectric (TE) performance of this material, which suggests that Cu2Se can be a potential p-type TE material with an optimum TE performance at a carrier concentration of ∼ 4−6×1021cm−3.

Superconductivity and thermal properties of sulphur doped FeTe with effect of oxygen post annealing

The AC susceptibility at zero DC magnetic field of a polycrystalline sample of LaFeAsO_{0.94}F_{0.06} (T_c = 24 K) has been investigated as a function of the temperature, the amplitude of the AC magnetic field (in the range Hac = 0.003 - 4 Oe) and the frequency (in the range f = 10 kHz - 100 kHz). The temperature dependence of the AC susceptibility exhibits the typical two-step transition arising from the combined response of superconduncting grains and intergranular weak-coupled medium. The intergranular part of the susceptibility strongly depends on both the amplitude and the frequency of the AC driving field, from few Kelvin below T_c down to T = 4.2 K. Our results show that, in the investigated sample, the intergrain critical current is not determined by pinning of Josephson vortices but by Josephson critical current across neighboring grains.Here, we report the synthesis and characterization of sulphur-substituted iron telluride i.e. FeTe1-xSx; (x = 0-30 %) system and study the impact of low temperature oxygen (O2) annealing as well. Rietveld analysis of room temperature x-ray diffraction (XRD) patterns shows that all the compounds are crystallized in a tetragonal structure (space group P4/nmm) and no secondary phases are observed. Lattice constants are decreased with increasing S concentration. The parent compound of the system i.e. FeTe does not exhibit superconductivity but shows an anomaly in the resistivity measurement at around 78 K, which corresponds to a structural phase transition. Heat capacity Cp(T) measurement also confirms the structural phase transition of FeTe compound. Superconductivity appears by S substitution; the onset of superconducting transition temperature is about 8 K for FeTe0.75S0.25 sample. Thermoelectric power measurements S(T) also shows the superconducting transition at around 7 K for FeTe0.75S0.25 sample. The upper critical fields Hc2(10%), Hc2(50%) and Hc2(90%) are estimated to be 400, 650 and 900 kOe respectively at 0 K by applying Ginzburg Landau (GL) equation. Interestingly, superconducting volume fraction is increased with low temperature (200 oC) O2 annealing at normal pressure. Detailed investigations related to structural (XRD), transport [S(T), R(T)H], magnetization (AC and DC susceptibility) and thermal [Cp(T)] measurements for FeTe1-xS:O2 system are presented and discussed.

Effect of Mn doping on the specific heat of the high TC superconductor REBa2Cu3Oy?(RE = Y,Gd)

We present measurements of specific heat in Mn-doped compounds REBa2(Cu1−xMnx)3Oy (RE = Y and Gd) with 0≤x≤2%. It is found that the transition temperature of Mn-doped YBa2(Cu1−xMnx)3Oy (YBaCuMnO) compounds does not change appreciably. On the other hand, in the case of GdBa2(Cu1−xMnx)3Oy (GdBaCuMnO) samples, the transition temperature decreases noticeably with the increase in Mn concentration. In REBaCuMnO, a jump in specific heat at the superconducting transition was observed for a low concentration of Mn; however, only a small change in slope was noticed for Mn concentrations above 1%. Replacing 0.5% Cu by Mn has only a marginal effect on the transition temperature, but a three-fold suppression of the specific heat jump is observed with such a substitution. This finding clearly demonstrates that these constituents are being incorporated into the superconductors as a whole and not in the form of a local cluster.

Studies on phase stability, mechanical, optical and electronic properties of a new Gd2CaZnO5 phosphor system for LEDs

A new ternary oxide Gd2CaZnO5 having interesting structural, mechanical, electronic and optical properties is synthesized and is studied in detail using density functional theory. The analysis revealed two polymorphs: orthorhombic and tetragonal; the orthorhombic phase was found to be the most stable structure under ambient conditions. A high-pressure (hydrostatic) phase transition to the tetragonal phase is predicted at about 4 GPa. This is one of very few reports that depict the phase transition of oxide materials under pressure. The calculated results are in agreement with the X-ray diffraction studies supported by Rietveld analysis. Analysis of the optical properties revealed both polymorphs to be direct-gap semiconductors with low dielectric constants. The calculated elastic constants of both phases satisfy the mechanical stability criteria. It is also identified that the half-filled 4f orbital of Gd induces a strong magnetic spin polarization in the host oxide lattice indicating that the material could be effectively used in versatile applications ranging from biomedical devices to light emitting diodes.

Electrical conduction and thermal properties of Bi-doped Pr0·7Sr0·3MnO3 manganite

Electrical and thermal properties of Bi-doped Pr0·7Sr0·3MnO3 (PSMO) compounds are reported here. It is observed that Bi-doped PSMO compounds follow variable range conduction mechanism. Specific heat, thermal conductivity and thermo-power measurements show that larger Bi-ion, in place of smaller Pr ion, enhances their transition temperatures (TMI, TC, TCP). Thermo-power measurements further strengthen our conclusion for the presence of magnetic polaron, generated due to hybridization of Bi3+–6s2 and O2−–2p orbital and polaronic conduction mechanism.