Interplay between Structure and Electronic Properties in Organic Conductors

TL;DR

This paper explores how the molecular arrangement influences the electronic ground states in organic conductors, using a systematic Hartree-Fock theoretical approach to unify understanding across different families.

Contribution

It introduces a comprehensive Hartree-Fock framework considering both on-site and intersite Coulomb interactions to analyze ground states in organic conductors.

Findings

Unified theoretical understanding of ground states

Emphasis on (TMTCF)$_2X$ and (ET)$_2X$ families

Insights into the role of molecular arrangement

Abstract

It is known that the ground states of organic conductors have a diversity reflecting the spatial arrangement of the constituent molecules within the unit cell. A systematic theoretical search for the unifying view behind such possible ground states has been made based on the Hartree-Fock mean field approximation not only to the on-site but also to intersite Coulomb interactions with special emphasis on the families of typical organic conductors (TMTCF)$_2X$ and (ET)$_2X$.