Competing Ground States of a Peierls-Hubbard Nanotube

TL;DR

This paper explores the complex ground states of a Peierls-Hubbard nanotube, revealing various valence arrangements and phase transitions, including doping-induced insulator-to-metal transitions with stepwise conductivity increases.

Contribution

It provides a systematic group-theoretical analysis and numerical demonstration of diverse valence states and phase competitions in a Peierls-Hubbard four-legged nanotube.

Findings

Identification of multiple valence arrangements including half-metallic states

Demonstration of doping-induced insulator-to-metal transitions

Observation of stepwise increase in conductivity during phase changes

Abstract

Motivated by iodo platinum complexes assembled within a quadratic-prism lattice, [Pt(C$_2$H$_8$N$_2$)(C$_{10}$H$_8$N$_2$)I]$_4$(NO$_3$)$_8$, we investigate the ground-state properties of a Peierls-Hubbard four-legged tube. Making a group-theoretical analysis, we systematically reveal a variety of valence arrangements, including half-metallic charge-density-wave states. Quantum and thermal phase competition is numerically demonstrated with particular emphasis on doping-induced successive insulator-to-metal transitions with conductivity increasing stepwise.