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Monte Carlo simulations of a model cuprate

Yu. D. Panov, Alexander S. Moskvin, Vasilii Ulitko

Published Jun 22, 2021• 0 citations
OpenAlex

Abstract

We used the classical Monte Carlo method to construct phase diagrams of a model cuprate within the framework of a S = 1 pseudo-spin formalism

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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 T c . 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.
A classical Monte Carlo algorithm based on the quasi-classical approximation is applied to the pseudospin Hamiltonian of the model cuprate. The model takes into account both local and non-local correlations, Heisenberg spin-exchange interaction, single-particle and correlated two-particle transfer. We define the state selection rule that gives both the uniform distribution of states in the phase space and the doped charge conservation. The simulation results show a qualitative agreement of a phase diagrams with the experimental ones.