Highly spin-polarized carriers and strong ferromagnetism in doped perovskite antiferromagnetic semiconductors

TL;DR

This study demonstrates through first-principles simulations that doping room-temperature antiferromagnetic perovskite semiconductors like CaTcO3 and NaOsO3 can produce highly spin-polarized carriers and strong ferromagnetism, advancing spintronics applications.

Contribution

It reveals that doping antiferromagnetic perovskite semiconductors induces high spin polarization and ferromagnetism, offering a new pathway for spintronic materials beyond traditional ferromagnetic semiconductors.

Findings

Doping CaTcO3 and NaOsO3 yields high spin polarization.

Moderate doping induces strong ferromagnetism.

Potential for replacing ferromagnetic semiconductors in spintronics.

Abstract

In semiconductor spintronics, the generation of highly spin-polarized carriers and the efficient probe of spin order (due to strong ferromagnetism) -- at or above room temperature -- are crucial because it allows for the design of spin-based semiconductor devices. Usually, such goals were fulfilled in room-temperature ferromagnetic semiconductors, being rare materials in nature. While room-temperature antiferromagnetic semiconductors are plentiful, the possibility for creating highly spin-polarized carriers and strong ferromagnetism in these materials remain to be unraveled. Here, we explore such a possibility by first-principles simulations, working with CaTcO$_3$ and NaOsO$_3$ perovskites -- being room-temperature antiferromagnetic semiconductors. We find that doping them by electrons or holes results in these materials to be highly spin-polarized, carrying enormous ferromagnetic moments. Doping electrons with moderate carrier density can yield strong ferromagnetism in them, with the ferromagnetic moments being comparable to that in typical ferromagnetic semiconductors. Our work thus indicates the merit of perovskite antiferromagnetic semiconductors in spintronics -- for a possible replacement of ferromagnetic semiconductors.