Modeling of Magnetic Properties of NiCl$_2$ Nanostripes, Nanotubes and Fullerenes

TL;DR

This study uses Monte-Carlo simulations to explore how nano-sizing and different morphologies affect the magnetic properties of NiCl$_{2}$, revealing potential for preserving antiferromagnetic behavior in nanostructures.

Contribution

The paper introduces a computational analysis of NiCl$_{2}$ nanostructures' magnetic properties across various morphologies, highlighting effects of nano-sizing on antiferromagnetism.

Findings

Nano-structuring influences magnetic properties positively.

Closed structures help preserve antiferromagnetic properties.

Magnetic behavior varies with morphology and size.

Abstract

We show that the magnetic properties of antiferromagnetic layered NiCl$_{2}$ can be altered under nano-sizing depending on dimensionality and morphology type of the corresponding nano-forms. By means of Monte-Carlo simulations within classical Heisenberg model, the spin ordering, magnetic part of heat capacity C$_{v}$ and N\'eel temperatures T$_{N}$ for multi-walled NiCl$_{2}$ nanotubes and a fullerene were calculated and analyzed in comparison with the bulk NiCl$_{2}$ and multilayered two-dimensional NiCl$_{2}$ crystals and nanostripes. We have found that the nano-structuring of NiCl$_{2}$ at the size reducing and at the formation of the closed structures can influence propitiously on the preservation of antiferromagnetic properties.