Abstract
This work studies the electronic and magnetic properties of few-layer Nb${}_{3}$I${}_{8}$ using first principles. The authors observe layer-dependent magnetism and compare their results with experimental work function measurements.
Highlights
Graphene synthesis in 2004 inaugurated the twodimensional (2D) materials era, which provided a wide range of physical properties and technological applications in high-performance electronic devices
Nb3I8 is a layered transition metal halide belonging to the family of Nb3X8 (X = Cl, Br, I) crystals
Magnetism has turned out to be necessary to reproduce the experimental data on Nb3I8-1L semiconducting behavior and Nb3I8 few layers work function
Summary
Graphene synthesis in 2004 inaugurated the twodimensional (2D) materials era, which provided a wide range of physical properties and technological applications in high-performance electronic devices. Further impressive results have been shown in the study and synthesis of the van der Waals (vdW) homo- and heterostructures. These systems exhibit novel properties and functionalities unavailable in the single-layer constituents [5,6], tunable due to an unprecedented number of degrees of freedom, such as the single layers’ relative orientation (twist angles) [7,8,9,10], their order and number (stacking configuration) [11,12], and the distance between two consecutive single layers (interlayer distance) [13,14].
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