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Article
Dynamic magnetic and thermodynamic behaviors of edge-modified graphene-like nanoparticles in a time-dependent magnetic field
The dynamic magnetic and thermodynamic behaviors of the mixed-spin (1/2, 1, 3/2) Ising edge-modified graphene-like nanoparticles in a time-dependent magnetic field are studied by Monte Carlo simulation. The in...
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Article
Compensation characteristics and hysteresis loops of a fullerene-like (XY)540: a Monte Carlo study
In this paper, the compensation characteristics and hysteresis loops of a ferrimagnetic mixed-spin diluted fullerene-like (XY)540 are studied based on Monte Carlo method. We show the ground-state phase diagrams i...
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Article
Compensation behaviors and phase transitions of a 3D fullerene-like polymer
The compensation behaviors and phase transitions of a new 3D fullerene-like polymer are explored by using Monte Carlo method. The ground-state phase diagrams and magnetization profiles are given, and the condi...
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Article
Exploring magnetic properties of an edge-modified kekulene multilayer cluster in an external magnetic field
In this paper, an Ising model with hybrid spins was used to construct the edge-modified kekulene multilayer cluster. Using Monte Carlo simulation, the magnetic properties of the edge-modified kekulene multilay...
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Article
Prediction of magnetic properties of an Ising-type perovskite LaFeO3 by particle swarm optimization combined with Monte Carlo method
In this work, we propose a new method of particle swarm optimization combined with Monte Carlo simulation (PSO–MC for short) to investigate the magnetic properties of the perovskite LaFeO3 structure described by ...
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Article
Thermodynamic Properties and Magnetocaloric Effect of a Diluted Kekulene-Like Structure with Defects
By establishing Ising model, we investigated the thermodynamic properties and magnetocaloric effect of a diluted Kekulene-like structure with defects. Under the influence of different exchange coupling and the...
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Article
Potential Antiperovskite Semiconductor Compounds Mg3XN (X = P, As, Sb, Bi): the First-Principles Study
In this work, the antiperovskite semiconductor compounds Mg3XN (X = P, As, Sb, Bi) are investigated using the first-principles calculations. The structural, electronic, optical, and elastic properties of the Mg3X...
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Article
Compensation and critical characteristics of the ferrimagnetic bilayer graphdiyne film with RKKY interaction
A Monte Carlo study is carried out to examine the compensation and critical characteristics of the ferrimagnetic bilayer graphdiyne film through the mixed spin-3/2 and spin-5/2 Ising model with JRKKY interaction ...