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.

中文翻译：

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Monte Carlo 研究结合具有缺陷的类萘结构铁电相变的 Blume-Capel 模型

摘要 我们使用蒙特卡罗模拟结合 Blume-Capel 模型来研究具有缺陷的类萘结构的铁电相变。铁电居里温度是从类萘纳米结构上纯杂质和缺陷杂质的部分极化和总极化的变化中推导出来的。研究了晶场和缺陷杂质对我们系统的影响。对于几个交换相互作用值，获得了类萘纳米结构的部分和总极化随温度的变化。对于不同的杂质值、温度、交换相互作用 (SS) 和晶体场，给出了铁电滞后循环。纳米粒子在铁电居里温度附近具有顺电特性。