Charge Transfer Excited State Contributions to Polarity Dependent Ferromagnetism in ZnO Diluted Magnetic Semiconductors

TL;DR

This paper investigates how charge transfer electronic structures influence polarity-dependent high-temperature ferromagnetism in transition metal-doped ZnO diluted magnetic semiconductors, providing a unified understanding of n- and p-type ferromagnetic oxides.

Contribution

It demonstrates a correlation between charge transfer energies and ferromagnetic trends across the 3d series in TM2+:ZnO DMSs, unifying the understanding of different doping types.

Findings

Charge transfer energies predict ferromagnetic trends.

Trends across 3d series match experimental data.

Provides a unified theoretical framework.

Abstract

A close link between the charge transfer electronic structures and polarity dependent high-TC ferromagnetism of TM2+:ZnO DMSs (TM2+ = 3d ions) is demonstrated. Trends in ferromagnetism across the 3d series of TM2+:ZnO DMSs predicted from their charge transfer energies reproduce experimental trends well. These results provide a unified basis for understanding both n- and p-type ferromagnetic oxide DMSs.