Magnetic properties of 2D nickel nanostrips: structure dependent magnetic anomaly

TL;DR

This study uses spin density functional theory to explore how the geometry of 2D nickel nanowires influences their stability, magnetic properties, and conductance, revealing structure-dependent magnetic anomalies and anisotropic behaviors.

Contribution

It provides the first detailed analysis of structure-dependent magnetic anomalies in 2D nickel nanowires using first-principles calculations.

Findings

Parallelogram motif is most stable among geometries.

Conductance increases with nanowire width.

Double rectangular nanowire shows a magnetic anomaly with perpendicular easy axis.

Abstract

We have investigated different geometries of two dimensional (2D) infinite length Ni nanowires of increasing width using spin density functional theory calculations. Our simulations demonstrate that the parallelogram motif is the most stable and structures that incorporate the parallelogram motif are more stable as compared to rectangular structures. The wires are conducting and the conductance channels increase with increasing width. The wires have a non-linear behavior in the ballistic anistropic magnetoresistance ratios with respect to the magnetization directions. All 2D nanowires as well as Ni (111) and Ni (100) monolayer investigated are ferromagnetic under the Stoner criterion and exhibit enhanced magnetic moments as compared to bulk Ni and the respective Ni monolayers. The Stoner parameter is seen to depend on the structure and the dimension of the Nws. The easy axis for all nickel nanowires under investigation is observed to be along the wire axis. The double rectangular nanowire exhibits a magnetic anomaly with a smaller magnetic moment when compared to Ni (100) monolayer and is the only structure with an easy axis perpendicular to the wire axis.