Role of the impurities in 2D spin crossover nanoparticle: Monte Carlo study

IF 0.9 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Physics and Chemistry of Solid State Pub Date : 2023-09-24 DOI:10.15330/pcss.24.3.509-514
V. Ivashko, O. Krulikovskyi, A. Samila
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Abstract

This work is devoted to the study of the impurities effect in 2D spin crossover nanosystem in frame work of an Ising-like model. Results were obtained by means of Monte Carlo modeling technique, based on the heat bath algorithm. It is shown, that the impurities change the system’s thermal hysteresis width and shift the spin transition curves (HS → LS). In this manner, impurities can act as an additional influence parameter on the transition curves. The considered effect is not significant, but nevertheless should be taken into account in the developing process of nanoscale devices based on spin crossover compounds.
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二维自旋交叉纳米粒子中杂质的作用:蒙特卡罗研究
本文在类ising模型框架下,研究了二维自旋交叉纳米体系中的杂质效应。采用基于热浴算法的蒙特卡罗建模技术得到了结果。结果表明,杂质改变了体系的热滞后宽度,使自旋跃迁曲线(HS→LS)发生偏移。通过这种方式,杂质可以作为过渡曲线上的附加影响参数。所考虑的影响并不显著,但在基于自旋交叉化合物的纳米级器件的开发过程中应予以考虑。
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来源期刊
CiteScore
1.70
自引率
14.30%
发文量
83
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