arXiv subjects

Diptasikha Das

Publications and source records attributed to Diptasikha Das.

13 recordsLinked to original sources

arXiv2026

Effect of Indium doping on structural and thermoelec-tric properties of SnTe

The solid state reaction method is employed to synthesize Sn1-xInxTe samples. Power Factors of synthesized samples are estimated from resistivity and thermopower data. Modifications in structural parameters, resistivity and thermopower owing to In doping in SnTe thermoelectric material are reported. In-depth structural analysis, employing Rietveld refinement of X-ray diffraction data, confirms the substitution of Sn by In. A minute amount of embedded phases in synthesized samples is revealed from the refinement of X-ray diffraction data. Williamson-Hall and modified Williamson-Hall methods are employed to estimate dislocation density and strain. The highest power factor and maximum host phases are simultaneously achieved for the Sn0.96In0.04Te sample amid the synthesized Sn1-xInxTe samples.

cond-mat.mtrl-sci↗

arXiv2026

Concise overview of methods to enhance the thermoelectric efficiency of SnTe

SnTe is a potential thermoelectric material in the mid temperature range. Detailed techniques to enhance the figure of merit by increasing the Power Factor, and reducing thermal conductivity, of SnTe-based TE materials are discussed. The key factors governing the figure of merit of a thermoelectric material are discussed to facilitate the optimization of the efficiency. Various techniques to synthesis bulk and nanostructured SnTe are presented. Efforts are made to reveal the optimization techniques for figure of merit of SnTe based materials through band structure engineering and reduction in thermal conductivity. Nano-structuring is one of the important approaches to decouple the interrelated material properties and reduce thermal conductivity. Band structure engineering is employed to enhance the Power Factor.

cond-mat.mtrl-sci↗

arXiv2026

Favorable half-Heusler structure of synthesized TiCoSb alloy: a theoretical and experimental study

The most favorable structure of the synthesized TiCoSb half-Heusler alloy is explored theoretically and experimentally, and the best structure for thermoelectric conversion is reported. Rietveld refinement of the X-ray diffraction data employing four probable structures of the HH alloy is performed to obtain the best fit and identify the crystallized structure. However, microstructural characterization is performed using the energy dispersive X-ray spectroscopy and transmission electron microscopy to reveal the stoichiometry and Bragg reflection planes of the synthesized polycrystalline lattice structure of TiCoSb HH alloy. Theoretical investigation is performed by implementing the first principle calculation using the Full Potential Linearized Augmented Plane Wave method in the Quantum Espresso software package. The most probable structure is explored by estimating the minimum energy at equilibrium volume and electronic structure of the TiCoSb half-Heusler alloy of the four probable structures considered. The theoretical and experimental data are corroborated, and the most probable structure is identified for the crystallized TiCoSb HH alloy. The thermoelectric properties of the most probable structure are estimated.

cond-mat.mtrl-sci↗

arXiv2025

Anomalous Power Factor Enhancement and Local Structural Transition in Ni-Doped TiCoSb

We report a significant enhancement (~269%) in the power factor (PF) and a local structural transition in Ni-doped TiCoSb samples (TiCo_{1-x}Ni_xSb, (x= 0.0, 0.01, 0.02, 0.03, 0.04, and 0.06). First-principles calculations reveal that even minute Ni doping induces a substantial shift in the Fermi level (EF) and alters the density of states (DOS). Structural analysis via Rietveld refinement of X-ray diffraction (XRD) data shows anomalous behavior at x = 0.02, supported by Williamson-Hall and modified methods. X-ray absorption spectroscopy (XAS) at the Ti and Co K-edges further confirms a pronounced local structural change at this composition. These structural transitions are consistent with temperature-dependent resistivity (ρ(T)) and thermopower (S(T)) data, which reflect changes in EF and disorder. Analysis of Lorentz number and scattering parameters reinforces the observed modifications in the electronic structure. The simultaneous enhancement of S and electrical conductivity at x = 0.02 is attributed to the disorder-to-order transition, leading to the marked rise in PF.

cond-mat.mtrl-sci↗

arXiv2025

Drastic modification in thermal conductivity of TiCoSb Half-Heusler alloy: Phonon engineering by lattice softening and ionic polarization

A drastic variation (~47%) 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. The lowest \k{appa} is reported for the TiCoSb1.02 sample. Thermal variation of \k{appa} is estimated from the temperature and power-dependent Raman spectroscopy data. Embedded phases and Co vacancy are analysed, employing scanning electron microscopy and transmission electron microscopy data. X-ray absorption fine structure (XAFS) spectroscopy reveals the Co vacancy in synthesized samples, and the most ordered phase is TiCoSb1.02 amid the synthesized samples. X-ray photoelectron spectroscopy measurement of the synthesized samples provides direct evidence of Co vacancies and their increase with Sb concentration (x). Lattice dynamics are revealed using Raman Spectroscopy (RS) measurements. 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. The polar nature of the TiCoSb half-Heusler (HH) sample is revealed. Longitudinal Optical and Transvers Optical phonon (LO-TO) splitting in RS is observed due to the polar nature of TiCoSb1+x synthesized samples. Tailoring in LO-TO splitting due to the screening effect, correlated with Co vacancies, is reported for TiCoSb1+x synthesized samples. Lattice softening and LO-TO splitting lead to a minimum \k{appa} for the TiCoSb1.02 synthesized sample.

cond-mat.mtrl-sci↗

arXiv2023

Transport phenomena of TiCoSb: Defects induced modification in structure and density of states

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.

cond-mat.mtrl-sci↗

arXiv2021

Sb concentration dependent Structural and Transport properties of Polycrystalline (Bi1-xSbx)2Te3 Mixed crystal

(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.

physics.app-ph↗

arXiv2016

Tuning of thermoelectric properties with changing Se content in Sb2Te3

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.

cond-mat.mtrl-sci↗

arXiv2015

The effect of quenching from different temperatures on Bi 0.88 Sb 0.12 alloy

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.

cond-mat.mtrl-sci↗

arXiv2015

Defect induced structural and thermoelectric properties of Sb2Te3 alloy

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.

cond-mat.mtrl-sci↗

arXiv2014

Magnetoresistive property study of direct and indirect band gap thermoelectric Bi-Sb alloys

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.

cond-mat.mtrl-sci↗

arXiv2013

Temperature-dependent structural property and power factor of n type thermoelectric Bi0.90Sb0.10 and Bi0.86Sb0.14 alloys

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.

cond-mat.mtrl-sci↗

arXiv2012

Sb concentration dependent structural and resistive properties of polycrystalline Bi-Sb alloys

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.

cond-mat.mtrl-sci↗