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A drastic variation in thermal conductivity (\k{appa}) for synthesized samples (TiCoSb1+x, x=0.0, 0.01, 0.02, 0.03, 0.04, and 0.06) is observed and ~47% reduction in \k{appa} is reported for TiCoSb1.02 sample. In depth structural analysis is performed, employing mixed-phase Rietveld refinement technique. Embedded phases and vacancy are analyzed from X-ray diffraction (XRD) and Scanning electron microscopy data. Local structures of the synthesized samples are explored for the first time by X-ray absorption spectroscopy measurements for TiCoSb system and corroborated with Rietveld refinement data. Lattice dynamics are revealed using Raman Spectroscopy (RS) measurements in unprecedented attempts for TiCoSb system. XRD and RS data accomplishes that variation in \k{appa} as a function of Sb concentration is observed owing to an alteration in phonon group velocity related to lattice softening. Polar nature of TiCoSb HH sample is revealed. LO-TO splitting (related to polar optical phonon scattering) in phonon vibration is observed due to polar nature of TiCoSb synthesized samples. Tailoring in LO-TO splitting due to screening effect, correlated with Co vacancies is reported for TiCoSb1+x synthesized samples. Lattice softening and LO-TO splitting lead to decreases in \k{appa}~47% for TiCoSb1.02 synthesized sample., Comment: Main article (17 pages, 10 figures), Supplemental article (5 pages, 7 figures), Comments are welcome

TiCoSb1+x (x=0.0, 0.01, 0.02, 0.03, 0.04, 0.06) samples have been synthesized, employing solid state reaction method followed by arc menting. Theoretical calculations, using Density Functional Theory (DFT) have been performed to estimate band structure and density of states (DOS). Further, energitic calculations, using first principle have been carried out to reveal the formation energy for vacancy, interstitial, anti-site defects. Detail structural calculation, employing Rietveld refinement reveals the presence of embedded phases, vacancy and interstitial atom, which is also supported by the theoretical calculations. Lattice strain, crystalline size and dislocation density have been estimated by Williamson-Hall and modified Williamson-Hall methods. Thermal variation of resistivity [\r{ho}(T)] and thermopower [S(T)] have been explained using Mott equation and density of states (DOS) modification near the Fermi surface due to Co vancancy and embedded phases. Figure of merit (ZT) has been calculated and 4 to 5 times higher ZT for TiCoSb than earlier reported value is obtained at room temperature., Comment: 12 pages, 12 figures (comments are welcome)

(Bi1-xSbx)2Te3 (x=0.60, 0.65, 0.68, 0.70, 0.75 and 0.80) mixed crystals have been synthesized by solid state reaction. In depth structural, thermal, transport and electronic properties are reported. Defect and disorder play a crucial role in structural and transport behaviour. Disorder induced iso-structural phase transition is observed at x=0.70, which is supported by the structural and transport properties data. Debye temperature has been estimated from the powder diffraction data. Differential scanning calorimetry (DSC) data confirms the glass transition in the material. Low temperature resistivity data shows Variable range hopping mechanism whereas high temperature data follows activated behaviour. Activation energy is calculated from the semiconducting region of resistivity data. Both Hall measurement and temperature dependent thermopower data (S(T)) confirms that samples are p-type in nature. Density of state effective mass has been estimated from Pisarenko relation and corroborated with resistivity data. Thermal conductivity (k) is estimated using experimentally obtained data. Figure of Merit (ZT) of the synthesized samples are calculated using resistivity, S(T) and k. Structural and transport properties are correlated, confirms the transition from disorder to order state. Defect and disorder are corroborated with structural and Thermoelectric properties of the synthesized samples.

Polycrystalline Sb 2 Te 3-x Se x (0.0 < x < 1.0) samples were synthesized by the solid state reaction method. The structural analysis showed that up to the maximal concentration of Se, the samples possess the Rhombohedral crystal symmetry (space group R 3 m ). Increase of Se content increases the resistivity of the samples. Variation of phonon frequencies, observed from Raman spectroscopic study, depict anomalous behaviour around x = 0.2. The sample Sb 2 Te 2.8 Se 0.2 also shows maximum Seebeck coefficient, carrier concentration and thermoelectric power factor. Nature of scattering mechanism controlling the thermopower data has been explored. The thermoelectric properties of the synthesized materials have been analyzed theoretically in the frame of Boltzmann equation approach., Comment: Accepted for publication in Europhysics Letters

Structural, thermal, resistive and magnetic properties of melt quenched Bi 0.88 Sb 0.12 alloys are reported. The samples are heated at three different temperatures, followed by rapid quenching in liquid nitrogen. Large temperature difference between liquidus and solidus lines, led to microscopic in-homogeneity in the alloy. The effect of quenching from different temperatures in polycrystalline Bi 0.88 Sb 0.12 alloy has been studied. The parameters such as strain, unit cell volume, and resistivity are found to increase with temperature. Thermal variation of resistivity depicts non monotonic temperature dependence. The total negative susceptibility increases and band gap of semiconducting Bi 0.88 Sb 0.12 samples decreases with increasing temperature.

Structural and thermoelectric properties of metallic and semiconducting Sb2Te3 are reported. X-Ray diffraction and Raman spectroscopy studies reveal that semiconducting sample have higher defect density. Nature and origin of possible defects are highlighted. Semiconducting Sb2Te3 hosts larger numbers of defects, which act as scattering center and give rise to the increased value of resistivity, thermopower and power factor. Thermopower data indicates p-type nature of the synthesized samples. It is evidenced that the surface states are often mixed with the bulk state, giving rise to metallicity in Sb2Te3. Role of different scattering mechanism on the thermoelectric property of Sb2Te3 is discussed., Comment: Accepted for publication in J. Applied Physics

We report magnetoresistive properties of direct and indirect band gap Bismuth-Antimony (Bi-Sb) alloys. Band gap increases with magnetic field. Large positive magnetoresistance (MR) approaching to 400 % is observed. Low field MR experiences quadratic growth and at high field it follows a nearly linear behavior without sign of saturation. Carrier mobility extracted from low field MR data, depicts remarkable high value. Correlation between MR and mobility is revealed. We demonstrate that the strong nearly linear MR at high field can be well understood by classical method, co-build by Parish and Littlewood., Comment: To be published in Applied Physics Letters

Thermal variation of structural property, linear thermal expansion coefficient, resistivity, thermopower and power factor of polycrystalline Bi1-xSbx (x=0.10, 0.14) samples are reported. Temperature-dependent powder diffraction experiments indicate that samples do not undergo any structural phase transition. Rietveld refinement technique has been used to perform detailed structural analysis. Temperature dependence of thermal expansion coefficient is found to be stronger for Bi0.90Sb0.10. Also, power factor for direct band gap Bi0.90Sb0.10 is higher as compared to that for indirect band gap Bi0.86Sb0.14. Role of electron-electron and electron-phonon scattering on resistivity, thermopower and power factor have been discussed.

Polycrystalline Bi-Sb alloys have been synthesized over a wide range of antimony concentration (8 at% to 20 at%) by solid state reaction method. In depth structural analysis using X-Ray diffraction (XRD) and temperature dependent resistivity measurement of synthesized samples have been performed. XRD data confirmed single phase nature of polycrystalline samples and revealed that complete solid solution is formed between bismuth and antimony. Rietveld refinement technique, utilizing MAUD software, has been used to perform detail structural analysis of the samples and lattice parameters of synthesized Bi-Sb alloys have been estimated. Lattice parameter and unit cell volume decreases monotonically with increasing antimony content. The variation of lattice parameters with antimony concentration depicts a distinct slope change beyond 12 at% Sb content sample. Band gap has been estimated from the thermal variation of resistivity data, with the 12% Sb content sample showing maximum value. It has been observed that, with increasing antimony concentration the transition from direct to indirect gap semiconductor is intimately related to the variation of the estimated lattice parameters. Band diagram for the polycrystalline Bi-Sb alloy system has also been proposed., Comment: To be published in J. Applied Physics