Correlated Electronic Structures and the Phase Diagram of Hydrocarbon-based Superconductors

Abstract

We have investigated correlated electronic structures and the phase diagram of electron-doped hydrocarbon molecular solids, based on the dynamical mean-field theory. We have found that the ground state of hydrocarbon-based superconductors such as electron-doped picene and coronene is a multi-band Fermi liquid, while that of non-superconducting electron-doped pentacene is a single-band Fermi liquid in the proximity of the metal-insulator transition. The size of the molecular orbital energy level splitting plays a key role in producing the superconductivity of electron-doped hydrocarbon solids. The multi-band nature of hydrocarbon solids would boost the superconductivity through the enhanced density of states at the Fermi level.

5 pages, 5 figures

References in corpus (13)

• Quantum Monte Carlo Impurity Solver for Cluster DMFT and Electronic Structure Calculations in Adjustable Base
• Correlated electronic structure of LaOFeAs
• Hund's coupling key role in multi-orbital correlations
• Modeling the Unconventional Superconducting Properties of Expanded A${}_3$C${}_{60}$ Fullerides
• Electronic Correlation effects in superconducting picene from ab-initio calculations
• Vibrational spectrum and electron-phonon coupling of doped solid picene from first principles
• Density functional calculations of the electronic structure and magnetic properties of the hydrocarbon K3picene superconductor near the metal-insulator transition
• Absence of metallicity in K-doped picene: Importance of electronic correlations
• Absence of photoemission from the Fermi level in potassium intercalated picene and coronene films: structure, polaron or correlation physics?
• Spectral properties of the three-dimensional Hubbard model
• Evidence for the formation of a Mott state in potassium-intercalated pentacene
• Local and non-local electron-phonon couplings in K3Picene and the effect of metallic screening
• Rubidium superoxide: a p-electron Mott insulator

Cited by in corpus (5)

• Downfolding electron-phonon Hamiltonians from ab-initio calculations: application to K${}_3$Picene
• Crystal structure search and electronic properties of alkali doped phenanthrene and picene
• Ba${}_2$phenanthrene is the main component in the Ba-doped phenanthrene sample
• Theory of metal-intercalated phenacenes: Why molecular valence 3 is special
• The role of potassium orbitals in the metallic behavior of K3picene