Quantum and thermal phase transitions in the Bechgaard salts and their analogs

TL;DR

This paper investigates quantum and thermal phase transitions in Bechgaard salts and their analogs using finite-temperature Hartree-Fock calculations, focusing on charge ordering, lattice instability, and related fluctuations.

Contribution

It provides a detailed theoretical analysis of phase transitions in Bechgaard salts, highlighting the interplay between charge ordering and lattice effects with specific case studies.

Findings

Charge- and spin-density-wave coexistence in (TMTSF)2PF6

Lattice tetramerization in (TMTTF)2ReO4

Interpretation of precursor fluctuations and phase behavior

Abstract

In order to investigate quantum and thermal phase transitions in the Bechgaard salts and their sulfur analogs, we perform finite-temperature Hartree-Fock calculations in one dimension with particular emphasis on the interplay between charge ordering and lattice instability. The coexisting charge- and spin-density-wave state as well as its precursor fluctuations in (TMTSF)2PF6 and the lattice tetramerization in (TMTTF)2ReO4 are well interpreted.