Study of Vibrational Dynamics Electronic Transport and Superconducting Properties of Some Bulk Metallic Glasses Using Pseudopotential Theory

Abstract

One of the most productive concepts to develop in recent years in the study of bulk metallic glasses (BMGs) is the seudopotential formalism for the screened; electron-ion interaction matrix elements. The usage of pseudopotential has made it conceivable to treat the differences between one metallic complex and another in a quantitative way. The theory has now advanced to the phase where, for some materials, a fundamental limitation in the computation of the metallic properties is the lack of an adequately exact determination of the pseudopotential matrix elements. The advancement of the pseudopotential theory into a practical computational tool has resulted in a breakthrough in the studies of the properties of BMGs and during the last several years, such studies have made tremendous impact. newlineThere has been a huge upsurge in interest in the study of various physical properties of the different BMG systems. Also, in parallel with the experimental and phenomenological study, the theoretical investigations have been made for the vibrational dynamics, electronic transport and superconducting properties of some 20 BMGs.With all the above views keeping in mind and owing to the simplicity in the formulation, the studies of certain vibrational dynamics, electronic transport and superconducting properties of some 20 BMGs ranging from binary to hexanary structures based on simple metals, transition metals and metalloid components have been carried out in the present work based on a local pseudopotential. The well-known single parametric local pseudopotential of Shaw (constant core model potential) has been incorporated in the present study with five different local field correction functions proposed and suggested by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) respectively.The present thesis entitled Study of Vibrational Dynamics, Electronic Transport and Superconducting Properties of Some Bulk Metallic Glasses using Pseudopotential Theory has been structured in the following seven