Vertical strain-induced modification of the electrical and spin properties of monolayer MoSi <sub>2</sub> <i>X</i> <sub>4</sub> ( <i>X</i> = N, P, As and Sb)
Shoeib Babaee Touski, Nayereh Ghobadi
Abstract
Abstract In this work, the electrical and spin properties of monolayer MoSi 2 X 4 ( X = N, P, As, and Sb) under vertical strain are investigated. The band structures show that MoSi 2 N 4 is an indirect semiconductor, whereas other compounds are direct semiconductors. The vertical strain has been selected to modify the electrical properties. The bandgap shows a maximum and decreases for both tensile and compressive strains. The valence band at K-point displays a large spin-splitting, whereas the conduction band has a negligible splitting. On the other hand, the second conduction band has a large spin-splitting and moves down under vertical strain which leads to a large spin-splitting in both conduction and valence bands edges. The projected density of states along with the projected band structure clarifies the origin of these large spin-splittings. These three spin-splittings can be controlled by vertical strain.