Spin-orbit splitting and piezoelectric properties of Janus GeXY (X ≠ Y = P, As, Sb and Bi).

The coexistence of spin-orbit coupling and piezoelectricity in a single material may have potential application in multifunctional devices, including spintronics, nanorobotics and piezotronics. Spin-orbit coupling provides a new means to manipulate electron's spin without an additional external magnetic field, while piezoelectricity refers to the interplay between mechanical stresses and electric polarization. Using first-principles calculations, the structural, electronic, optical, spin, and piezoelectric properties of the Janus GeXY (X ≠ Y = P, As, Sb, and Bi) monolayers were systematically investigated.

Janus GaSeTe/InSSe heterostructures: tunable electronic, optical, and photocatalytic properties.

Vertically stacking two-dimensional materials into van der Waals (vdW) heterostructures (HS) is deemed to be an effective strategy to tailor their physical properties and enrich their applications in modern nanoelectronics. Here, we study the geometry, electronic, and optical properties of Janus GaSeTe/InSSe heterostructures by using first-principles calculations. We consider four models of GaSeTe/InSSe heterostructures with an alternative chalcogen atom layer sequence and five potential stacking configurations, and find that the most energy favorable stacking pattern is AB stacking for each model.