Vertical Strain-Induced Modification of the Electrical and Spin Properties of Monolayer MoSi2X4 (X= N, P, As and Sb)

Abstract

In this work, the electrical and spin properties of monolayer MoSi2X4 (X= N, P, As, and Sb) under vertical strain are investigated. The band structures state that MoSi2N4 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.

Field-Effect Transistor Based on MoSi$_2$N$_4$ and WSi$_2$N$_4$ Monolayers Under Biaxial Strain: A Computational Study of the Electronic Properties

“…(up to 270/1200 cm 2 /(Vs) which are near to six times larger than those of monolayer MoS 2 ) creates a bright and versatile future for this material [21], [22]. MoSi 2 N 4 and WSi 2 N 4 have an indirect bandgap with the values of 1.73 eV and 2.06 eV, respectively [17], [23]. This range of bandgap makes them promising candidates for potential optical applications in the visible range.…”