Ground-state phase diagram and thermodynamics of coupled trimer chains

R. R. Montenegro-Filho, E. J. P. Silva-Júnior, and M. D. Coutinho-Filho
Phys. Rev. B 105, 134423 – Published 20 April 2022

Abstract

The density matrix renormalization group and quantum Monte Carlo methods are used to describe coupled trimer chains in a magnetic field h. The Hamiltonian contains exchange terms involving the intratrimer coupling J1 (taken as the unit of energy) and the intertrimer coupling J2, plus the Zeeman interaction for a magnetic field h along the z direction. Results for the magnetization per trimer m are calculated in regimes of positive and negative values of the ratio J=J2/J1, from which the rich field-induced ground state phase diagram h versus J is derived, with the presence of a Luttinger liquid, the 1/3 plateau (m=1/2), and the one of fully polarized magnetization (m=3/2). Also, zero-field Lanczos calculation of the spin-wave dispersion from the 1/3 plateau for Sz=1 is shown at the previous regimes of J values. In addition, we also report on the decay of correlation functions of trimers along open chains, as well as the average two-magnon distribution. The ground state is ferrimagnetic for 0<J1, and is a singlet for 1J<0. In the singlet phase, the spin correlation functions along the legs present an antiferromagnetic power-law decay, similar to the spin-1/2 linear chain, thus suggesting that the ground state is made of three coupled antiferromagnetically oriented chains. In the singlet phase, the dimensionless thermal magnetic susceptibility per site normalized by 1/|J| gets closer to 1/π2 as the temperature T0. For the ferrimagnetic phase, we fit the susceptibility to the experimental data for the compound Pb3Cu3(PO4)4 and estimate the model exchange couplings: J1=74.8K and J=0.4. These values imply a range of energies for the magnon excitations that are in accord with the data from neutron scattering experiments on Pb3Cu3(PO4)4 for two excitation modes. The 1/3 plateau closes only at 1/|J|=0 with J<0.

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  • Received 1 January 2022
  • Revised 22 March 2022
  • Accepted 11 April 2022

DOI:https://doi.org/10.1103/PhysRevB.105.134423

©2022 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

R. R. Montenegro-Filho, E. J. P. Silva-Júnior, and M. D. Coutinho-Filho

  • Laboratório de Física Teórica e Computacional, Departamento de Física, Universidade Federal de Pernambuco, 50760-901 Recife, Pernambuco, Brazil

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Issue

Vol. 105, Iss. 13 — 1 April 2022

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