An augmented space recursion study of the electronic structure of rough epitaxial overlayers

TL;DR

This paper introduces the Augmented Space Recursion method for analyzing the electronic and magnetic properties of rough surfaces and overlayers, effectively accounting for surface imperfections and compositional effects.

Contribution

It presents a novel application of Augmented Space Recursion to study rough epitaxial overlayers, including effects like roughness and interdiffusion.

Findings

Successfully modeled Fe overlayer on Ag (100) surface

Captured effects of roughness and clustering

Demonstrated method's effectiveness for surface studies

Abstract

In this communication we propose the use of the Augmented Space Recursion as an ideal methodology for the study of electronic and magnetic structures of rough surfaces, interfaces and overlayers. The method can take into account roughness, short-ranged clustering effects, surface dilatation and interdiffusion. We illustrate our method by an application of Fe overlayer on Ag (100) surface.