Monte Carlo study of the manganite oxide perovskite YMnO3

Abstract

This work deals with the magnetic behavior of the yttrium manganite oxide YMnO3 which can crystallize in either the hexagonal (h-YMO) or orthorhombic (o-YMO) structure. These two structures are investigated using Monte Carlo simulations under the Metropolis algorithm. In a first step, we have elaborated and discussed the ground-state phase diagrams in different planes corresponding to different physical parameters. The study of the ground-state phase diagrams is done in the absence of any temperature fluctuations. Then we examine the critical behavior and the dependency of the magnetizations and the susceptibilities as a function of the temperature, the crystal field, the exchange coupling interactions and the external magnetic field. On the other hand, we have illustrated the behavior of the magnetizations as a function of the exchange coupling interactions to show and underline the magnetic atoms Mn–Mn for fixed values of the other physical parameters. In addition, we have investigated and discussed the effect of varying the exchange coupling interactions on the total magnetizations, for fixed temperature values. To complete this study, we have provided and analyzed the hysteresis cycles of the studied manganite oxide perovskite YMnO3 compound as a function of the external magnetic field, for specific values of the crystal field, the exchange coupling interactions and the temperature.