Molecular conductors with two-chain orbitals

TL;DR

This paper presents a theoretical model for molecular conductors with two types of molecular orbitals, analyzing charge transfer between chains and comparing results with experimental data.

Contribution

It introduces a two-chain Hubbard model to describe charge transfer in molecular conductors like TTP and $M(dmit)_2$ salts, providing insights into their electronic behavior.

Findings

Charge transfer between chains is quantitatively analyzed.

Model results qualitatively match experimental observations.

Provides a framework for understanding molecular conductor properties.

Abstract

We investigate a theoretical model applicable to molecular conductors, such as TTP and $M(dmit)_2$ salts [M=Ni, Pd, Pt], whose charge carriers orig inate from two kinds of molecular orbitals. The model Hamiltonian consists of two independent Hubbard chains. The degree of charge transfer between the two chains is calculated. The results qualitatively agree with some experimental data.