A strategic high throughput search for identifying stable Li based half Heusler alloys for spintronics applications

Rohit Pathak, Parul R. Raghuvanshi, Amrita Bhattacharya

In this work, high throughput DFT calculations are performed on the alkali metal-based half Heusler alloys; LiY${}_p$Y${}_{1-p}^{\prime }$S (Y, Y${}^{\prime }$ = V, Cr, Mn, Fe, Co, Ni and $\ma…