Magnetism on Rough Surfaces of Fe, Co and Ni : An Augmented Space Approach

TL;DR

This paper uses an augmented space formalism combined with recursion and tight-binding methods to analyze how surface roughness affects magnetic and electronic properties of Fe, Co, and Ni surfaces, providing a new modeling approach.

Contribution

It introduces an augmented space approach for studying rough surfaces of magnetic metals, extending previous models to include multiple rough layers and their effects.

Findings

Roughness influences magnetic moments and work functions.

The formalism accurately models different surface roughness scenarios.

Electronic density of states varies with surface roughness.

Abstract

The augmented space formalism coupled with the recursion method and a tight-binding linear Muffin-tin orbitals basis has been applied to study the effects of roughness on the properties of (001) surfaces of body-centered cubic Fe and face-centered cubic Co and Ni. The formalism is also proposed for the study of smooth surface. Comparisons have been made for three types of surfaces: a smooth surface, the surface with a rough top layer, and a more realistic model with several rough top layers converging into a crystalline bulk. Comparisons have been made between the magnetic moments, work function and electronic density of states in the three models described above.