Ab initio electronic and geometrical structures of tripotassium-intercalated phenanthrene
Abstract
The geometrical and electronic structure of tripotassium doped phenanthrene, 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 unit cell is composed of two sheets with marked one and two dimensional character respectively.
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