High Carrier Mobility and Controllable Electronic Property of the h-BN/SnSe Heterostructure.

Building two-dimensional (2D) vertical van der Waals heterostructures (vdWHs) is one of the effective methods to regulate the properties of single 2D materials. In this paper, we stack the hexagonal boron nitride (h-BN) monolayer (ML) on the SnSe ML to construct the stable h-BN/SnSe vdWH, of which the crystal and electronic structures, together with the optical properties, are also analyzed by the first-principles calculations. The results show that the h-BN/SnSe vdWH belongs to a type-I heterostructure with an indirect bandgap of 1.

Ferromagnetism and optical properties of SnS doped with two impurities: first-principles calculations.

Based on the first principles of the GGA method, the magnetic and optical properties of intrinsic SnS; Fe, Cr mono-doped SnS; and (Fe, Cr) co-doped SnS are studied. The results show that the ground states of Fe, Cr mono-doped SnS are spin polarized, and the magnetic moments caused are 1.99 μ and 3.