# Stability and Induced Magnetism by Edge Modification of HfS2 Nanoribbons

## TL;DR

This paper explores how modifying the edges of HfS2 nanoribbons can induce magnetism and affect their electronic properties, making them useful for nanoelectronics and spintronics.

## Contribution

The study reveals that edge modifications in HfS2 nanoribbons can induce magnetism and alter electronic properties, a novel finding for 2D materials.

## Key findings

- HfS2 nanoribbons with zigzag edges show variable electronic behavior including metallic and half-metallic properties.
- Edge modifications can induce magnetism in previously nonmagnetic HfS2 nanoribbons.
- Armchair HfS2 nanoribbons consistently behave as semiconductors regardless of width.

## Abstract

The development of
two-dimensional (2D) structures has had an immense
impact on the field of nanoelectronics. However, many potential candidates
for practical applications remain unexplored. One such underinvestigated
group is HfS2 nanoribbons. In this study, we aimed to assess
the influence of nanoribbon geometries (armchair or zigzag) on key
properties such as stability and band gap. Additionally, we explored
the potential for edge-modification-induced magnetism. These investigations
were conducted using first-principles calculations based on density
functional theory (DFT). Our findings demonstrate that all simulated
systems are thermodynamically stable and some also exhibit dynamical
stability. In terms of band structure, the armchair configuration
behaves as a semiconductor, while the zigzag configuration varies
between semiconducting, metallic, and half-metallic depending on the
edge characteristics. Apart from minor variations in band gap values,
the ribbon’s general properties remain consistent as their
width changes. Most notably, we observed induced magnetism in HfS2 nanoribbons through edge modifications, which transformed
nonmagnetic ribbons into magnetic ones. Consequently, we demonstrate
that HfS2 nanoribbons are promising candidates for applications
in both nanoelectronics and spintronics.