| In this dissertation, we present the experimental and theoretical investigation of extensive properties of chalcogenide materials and their potential application in solid electrolytes and phase change memory materials. Extended X-ray absorption fine structure (EXAFS) spectroscopy was employed to study the structural properties and the results were validated from the computer simulated models through ab-initio molecular dynamic (AIMD) simulations. EXAFS analysis on Ge-Sb-Te (GST) alloys, synthesized using electrodeposition and radio frequency sputtering methods confirmed the structural similarities in Ge-Te and Sb-Te bond pairs suggesting the possibility of utilizing the electrodeposition method to grow GST alloys in nanoporous materials and thus enabling miniaturizing the phase change memory devices. The analyses of structural, electronic and optical properties of computer generated amorphous and crystalline TiO2 confirmed the structural similarities of amorphous TiO2 with the anatase phase of crystalline TiO2 and hence recommending the possibilities of replacing the crystalline TiO2 by less processed thus cheaper form of amorphous TiO2. Moreover, the AIMD simulations of the ionic conductivity of transitions metals like Ag and Cu in Ge-Se glasses confirmed the superiority of Ag over Cu in terms of conductivity. Ag was found to be easily hopping around while Cu was often trapped. In addition, an experimental and computational investigation on Ag-doped Ge-Sb-Te alloys predicted an enhanced crystallization of Ge-Sb-Te alloys. The enhanced crystallization was related to the reduction of fraction of tetrahedral Ge relative to octahedral Ge as also reflected as the increased Ge-Te bond lengths on adding Ag. Finally, further investigation of dopant-induced modification of GST alloys with transition metals (Cu, Ag and Au) demonstrated the superiority of Ag over Cu and Au regarding crystalline speed while at ~ 2% dopant level no significant structural modification was observed. |
