Computational investigations of a few low-dimensional systems: effects of size, defects and molecular adsorption

Abstract

The term, \low dimensional systeM.S.", refers to those materials which are nite along at least one dimension. Due to their low-dimensionality, motion of microscopic degrees of freedom, such as electrons, phonons etc. is constrained in these systeM.S.. This constraint to move in three dimensions makes them as hosts for quantum con nement e ects. [1{7] Although one would not, traditionally, consider the natural low-dimensional entities such as atoM.S. and molecules as low-dimensional systeM.S., but some of the most exciting recent developments in the eld have involved the use of molecules and even biologically important materials, such as DNA, chlorophylls etc. and had blurred the boundaries between the subject and other physical and life sciences. [8]