Papers by Author: R. Saravanan

Abstract: In this work, high vacuum (10^-6 Torr) annealed (at 500^°C) samples of the thermoelectric materials Bi₂Te₃ and Sb₂Te₃ were analyzed in terms of local structures and electron density distribution. After annealing, the samples were analyzed for their structural properties using powder X- ray diffraction data. The electron density distribution has been analyzed using the MEM (maximum entropy method) and the precise bonding in Bi₂Te₃ and Sb₂Te₃ has been determined. Since Bi₂Te₃ and Sb₂Te₃ and their combinations are the latest high figure of merit thermoelectric materials, with immediate application in many fields, particularly the electrical power harvesting devices, a study on the local structure of these materials becomes important which has been carried out in this work. Also the particle size variation due to annealing effect is studied and reported and the bond distance between neighboring atoms in bismuth telluride and antimony telluride has been analyzed.

Abstract: In this work, CdS nano particles were synthesized using aqueous precipitation method; This method is simple, fast and can be carried out at room temperature. Various techniques like X-ray powder diffraction and UV-visible absorption spectroscopy are used for the structural characterization like electron density distribution and estimation of inter atomic distances between the atoms of the nano particles. The optical band gap of this material has been determined in order to establish a relationship between energy gap of bulk and nano materials.

Abstract: An effort has been made to understand the charge density distribution of the Si and Ge based diluted magnetic semiconductors. A theoretical analysis has been done on the variation of charge densities when the semiconductors Si and Ge are doped with the transition metal atoms of V, Mn and Co with different concentrations of x (0.02, 0.04, 0.06, 0.08, and 0.10), in Si_1-xM_x and Ge_1-xM_x. Two dimensional electron density contour maps have been plotted for all the compositions studied in this work. The theoretical mid bond densities were found out for the compounds which can be taken as the reference values for comparison of the experimental values of the same compositions.

Abstract: In this work, lead sulphide has been characterized using X- ray diffraction, SEM, EDX and UV-Visible techniques. X-ray analysis is done by using the Rietveld refinement method of matching the observed and calculated profiles, and then the results obtained from the refinement process are used in finding the electron density distribution by using maximum entropy method (MEM). The local structure analysis of PbS is done by the pair distribution function (PDF). Particle size analysis is done with the use of XRD data, SEM analysis is done in finding the surface structure and EDX in finding the elemental composition of PbS sample. The energy gap of PbS is found from UV-Visible spectrum.

Abstract: Thermal conductivity of three different GaAs crystals, one grown by Liquid Encapsulated Czochralski technique and the other two samples grown by Vertical Bridgman technique have been experimentally measured at temperatures 310 K to 360 K. Two crystals are undoped and semi insulating and one crystal is conductive which is doped with Si and B(Silicon ≈ 4x1015 cm-3 and Boron ≈ 8x 1015cm-3). It has been experimentally observed that doping of silicon and boron gives rise to an increase in thermal conductivity.

Abstract: The electron density distribution and the local structure of aluminum oxide (Al2O3), chromium doped aluminum oxide (Cr:Al2O3) and vanadium doped aluminum oxide (V:Al2O3) have been studied. Powder X-ray data set of Al2O3 , Cr:Al2O3 and V:Al2O3 is analyzed in terms of cell parameters, thermal vibration parameters, 1D, 2D and 3 Dimensional electron density distributions. The bonding between the atoms using the maximum entropy method (MEM) and bond length distribution using pair distribution function (PDF) has been analyzed. The particle size of Al2O3 , Cr:Al2O3 and V:Al2O3 is also analyzed using XRD and SEM.

Abstract: Tin oxide material (SnO2) is synthesized in nano scale range and is characterized. The refined X-ray intensity data was obtained from the Reitveld method. The electron density of nano SnO2 is determined using MEM (Maximum Entropy Method). Using one, two and three dimensional MEM maps, the bonding within the atoms is clearly understood. The particle size of SnO2 is also analyzed using XRD and SEM.

Abstract: The alkali halide Na1-xAgxCl, with two different compositions (x = 0.03 and 0.10), was studied with regard to the Ag impurities in terms of the bonding and electron density distribution. X-ray single crystal data sets have been used for the purpose. The present analysis focused on the electron density distribution and hence the interaction between the atoms is clearly revealed by maximum entropy method (MEM) and multipole analyses. The bonding in these systems has been studied using two-dimensional MEM electron density maps on the (100) and (110) planes and onedimensional electron density profiles along the [100], [110] and [111] directions. The mid-bond electron densities between atoms in these systems are found to be 0.175 e/Å3 and 0.183 e/Å3, respectively, for Na0.97Ag0.03Cl and Na0.90Ag0.10Cl. Multipole analysis of the structure has been performed for these two systems, with respect to the expansion/contraction of the ion involved.