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

摘要

We employ ab-initio electronic structure calculations to search for spin gapless semiconductors 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.