Spin Gapless Semiconductor Behavior in d°-d Half-Heusler CrSbSr: Potential Candidate for Spintronic Application

This study was to investigate theoretically the d degrees-d Half Heusler compound CrSbSr. We have adopted the first-principles full potential linearized augmented plane waves (FP-LAPW) method within GGA and mBJ-GGA potential. The calculated values of formation energy and elastic constants for the d degrees-d HH CrSbSr compound support the thermodynamic and mechanical stability. To the best of our knowledge, there are no available data to compare our results. The calculated lattice parameter and magnetic moments are in good agreement with the available works for VSbSr compound. The electronic structure within the GGA scheme indicates that the d degrees-d HH CrSbSr compound exhibits a spin gapless semiconductor behavior. This behavior was improved by using the mBJ-GGA potential, thus this compound can be a potential candidate for spintronic applications. We believe that our predictive results can be useful for future studies.