Magnetic properties of Quantum Corrals from first principles calculations

TL;DR

This paper investigates the electronic and magnetic properties of surface states confined by magnetic adatom-based quantum corrals on Cu(111), revealing oscillatory behaviors and spin-polarized states through first-principles calculations.

Contribution

It provides a detailed first-principles analysis of magnetic and electronic properties of quantum corrals, including a simple quantum model to interpret the results.

Findings

Oscillations in charge and magnetization densities within the corral

Potential emergence of spin-polarized states

Correlation between corral radius and magnetic properties

Abstract

We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities within the corral and the possibility of the appearance of spin--polarized states. In order to classify the peaks in the calculated density of states with orbital quantum numbers we analyzed the problem in terms of a simple quantum mechanical circular well model. This model is also used to estimate the behaviour of the magnetization and energy with respect to the radius of the circular corral. The calculations are performed fully relativistically using the embedding technique within the Korringa-Kohn-Rostoker method.