Electronic Structure

Abstract

Electronic structure describes how energy levels or spectra are distributed as a function of either real space (rr)(rr) or reciprocal space (kk)(kk). In this chapter, we focus on the Band Diagram or Energy Diagram E(rr)E(rr), and the Band Structure E(kk)E(kk). The method of choice for calculating the electronic structure of nanomaterials is the Quantum mechanics (also called wave mechanics), where the non-relativistic Schrödinger equation is the norm and not an exception. Before going into the details of this new kind of mechanics of the nanostructures and nanomaterials, let us first review some history.