Spin-density functional study of the organic polymer dimethylaminopyrrole: A realization of the organic periodic Anderson model

TL;DR

This paper demonstrates that a specifically designed organic polymer, dimethylaminopyrrole, can emulate the periodic Anderson model's physics, exhibiting potential magnetic ground states influenced by doping, as shown through spin density functional calculations.

Contribution

It introduces a new organic polymer that models the periodic Anderson model and explores its magnetic properties using first-principles calculations.

Findings

Polymer of dimethylaminopyrrole can be described by the periodic Anderson model.

The ground state of the polymer can be magnetic depending on doping levels.

Factors influencing ferromagnetic ground state are discussed.

Abstract

While the periodic Anderson model (PAM) has been recognized as a good model for various heavy f-electron systems, here we design a purely organic polymer whose low-energy physics can be captured by PAM. By means of the spin density functional calculation, we show that polymer of dimethylaminopyrrole is a candidate, where its ground state can indeed be magnetic depending on the doping. We discuss the factors favoring ferromagnetic ground state.