Monte Carlo simulation of a model cuprate

TL;DR

This paper introduces a classical Monte Carlo method with a quasi-classical approximation to simulate a model cuprate, capturing key phase behaviors relevant to high-temperature superconductivity.

Contribution

It presents a novel Monte Carlo algorithm for a pseudospin S=1 Hamiltonian that incorporates local and nonlocal correlations for modeling cuprates.

Findings

Qualitative agreement with experimental phase diagrams

Effective modeling of spin-exchange and transport interactions

State selection algorithm ensures uniform phase space sampling

Abstract

We develop a classical Monte Carlo algorithm based on a quasi-classical approximation for a pseudospin S=1 Hamiltonian in real space to construct a phase diagram of a model cuprate with a high Tc. A model description takes into account both local and nonlocal correlations, Heisenberg spin-exchange interaction, correlated single-particle, and two-particle transport. We formulate a state selection algorithm for a given parameterization of the wave function in order to ensure a uniform distribution of states in the phase space. The simulation results show a qualitative agreement with the experimental phase diagrams.