Search for spin gapless semiconductors: The case of inverse Heusler compounds

TL;DR

This study uses ab-initio calculations to identify inverse Heusler compounds as potential spin gapless semiconductors, highlighting their unique electronic properties and suitability for spintronics due to high Curie temperatures.

Contribution

It introduces a computational approach to discover new spin gapless semiconductors within inverse Heusler compounds, a class not previously characterized for this property.

Findings

Six compounds exhibit spin gapless semiconducting behavior.

The compounds have high Curie temperatures.

They show 100% spin-polarized carriers.

Abstract

We employ ab-initio electronic structure calculations to search for spin gapless semiconductors, a recently identified new class of materials, among the inverse Heusler compounds. The occurrence of this property is not accompanied by a general rule and results are materials specific. The six compounds identified show semiconducting behavior concerning the spin-down band structure and in the spin-up band structure the valence and conduction bands touch each other leading to 100% spin-polarized carriers. Moreover these six compounds should exhibit also high Curie temperatures and thus are suitable for spintronics applications.