Electronic and Geometrical Structure of Potassium doped Phenanthrene

Abstract

The geometrical and electronic structure of potassium doped phenanthrene, \ce{K3C14H10}, have been studied by first-principles density functional theory. The main effect of potassium doping is to inject charge in the narrow phenanthrene conduction band, rendering the system metallic. The Fermi surface for the experimental X-rays structure is composed of two sheets with marked one and two dimensional character respectively.