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Abstract We have used the Monte Carlo simulations combined with Blume-Capel model to investigate the ferroelectric phase transitions of a naphthalene-like structure with defects. The ferroelectric Curie temperature has been… Click to show full abstract
Abstract We have used the Monte Carlo simulations combined with Blume-Capel model to investigate the ferroelectric phase transitions of a naphthalene-like structure with defects. The ferroelectric Curie temperature has been deduced from the variation of partial and total polarizations for the pure and the defects impurities on naphthalene-like nanostructure. The effect of crystal field and defects impurities on our system were studied. The variation of partial and total polarizations with temperature of naphthalene-like nanostructure are obtained for several exchange interaction values. The ferroelectric hysteresis cycles are given for different values of impurities, temperatures, exchange interactions (S-S) and crystal fields. The nanoparticles possess paraelectric features around the ferroelectric Curie temperature.
Journal Title: Computational Materials Science
Year Published: 2020
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