Tunable electronic and magnetic properties of thin Nb3I8 nanofilms: Interplay between strain and thickness

Abstract

The study of novel 2D platforms implementing magnetism in tunable van der Waals (vdW) homo- and hetero-structures paves the way to innovative spintronics and magnetic devices. In this study, we unravel the intriguing properties of few-layer Nb$_3$I$_8$ vdW nanofilms from first principles, showing how and to what extent specific magnetic orderings can be tuned using several degrees of freedom, such as film thickness, stacking geometry, and strain or even a combination of them. All these aspects are explored here, giving a comprehensive view of this novel and promising magnetic material.